({3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoyl}oxy)calcio 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate

• ChemBase编号: 130810
• 分子式: C18H32CaN2O10
• 平均质量: 476.53208
• 单一同位素质量: 476.16828621
• SMILES: CC(C)(CO)[C@H](C(=O)NCCC(=O)O[Ca]OC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O)O
• Canonical SMILES: OCC([C@H](C(=O)NCCC(=O)O[Ca]OC(=O)CCNC(=O)[C@@H](C(CO)(C)C)O)O)(C)C
• InChI: InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1
• InChIKey: FAPWYRCQGJNNSJ-UBKPKTQASA-L

名称和登记号

名称

• IUPAC标准名: ({3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoyl}oxy)calcio 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate
• IUPAC传统名: ({3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoyl}oxy)calcio 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate
• 别名: (R)-(+)-N-(2,4-二羟基-3,3-二甲基-1-氧代丁基)-β-丙氨酸 半钙盐; D-泛酸 半钙盐; D-泛酸钙; 维生素 B5; 泛酸钙; D-泛酸 半钙盐; Calcium D-pantothenate; Vitamin B5; (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-β-alanine hemicalcium salt; Calcium pantothenate; D-Pantothenic acid hemicalcium salt

登记号

• CAS号: 137-08-6
• EC号: 205-278-9
• MDL号: MFCD00002766
• Beilstein号: 3769272
• PubChem SID: 24893098; 24898695; 24852721; 24871540; 162225088; 24898300; 24898601
• PubChem CID: 11306073

理论计算性质

• Acid pKa: 12.379978
• 质子受体: 8
• 质子供体: 6
• LogD (pH = 5.5): -2.8912
• LogD (pH = 7.4): -2.8912046
• Log P: -2.8912
• 摩尔折射率: 101.167 cm^3
• 极化性: 43.33774 Å^3
• 极化表面积: 191.72 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: H2O: soluble0.5 M, clear, colorless; H2O: soluble50 mg/mL at 25 °C, clear, almost colorless
• 比旋光度: [α]20/D +27±2°, c = 5% in H2O
• pH值: 6.8-7.2 (25 °C, 50 mg/mL in H2O)

安全信息

• RTECS编号: RU4375000
• 德国WGK号: 1
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (TLC); ≥99.0% (T)
• 级别: analytical standard; meets USP testing specifications; puriss.
• 包装: ampule of 1000 mg
• 适用性: suitable for cell culture; suitable for insect cell culture; suitable for plant cell culture
• 杂质: ≤0.0005% Phosphorus (P); ≤0.002% heavy metals; ≤0.1% Insoluble matter
• 痕量阳离子: Al: ≤0.0005%; Cu: ≤0.0005%; Fe: ≤0.0005%; K: ≤0.005%; Mg: ≤0.01%; Na: ≤0.005%; NH4+: ≤0.05%; Pb: ≤0.001%; Zn: ≤0.0005%
• 痕量阴离子: chloride (Cl-): ≤0.05%; sulfate (SO42-): ≤0.05%
• 干燥失重: ≤3% loss on drying
• Mol. Weight: monograph mol wt. 476.53 (C18H32CaN2O10)
• 特征: standard type water soluble vitamin
• 线性分子式: HOCH2C(CH3)2CH(OH)CONHCH2CH2CO2 ·1/2Ca

详细说明

Sigma Aldrich - 21210

Application
生物合成辅酶 A 的前体。
Biochem/physiol Actions
D-Panthenol is the alcohol analogue and biological precursor of D-pantothenic acid. These analogues are precursors in the biosynthesis of coenzyme A. D-Panthenol and D-Pantothenic acid are used in a variety of skin protection products. D-pantothenic acid may have a role in controlling keratinocyte proliferation and differentiation. D-Panthenol may be used for studies of skin protection emulsions from UV irradiation and as a humectant.
Physical properties
由于游离酸具有不稳定性和吸湿性，因此采用钙盐的形式。

Sigma Aldrich - P5710

Application
生物合成辅酶 A 的前体。
Biochem/physiol Actions
D-Panthenol is the alcohol analogue and biological precursor of D-pantothenic acid. These analogues are precursors in the biosynthesis of coenzyme A. D-Panthenol and D-Pantothenic acid are used in a variety of skin protection products. D-pantothenic acid may have a role in controlling keratinocyte proliferation and differentiation. D-Panthenol may be used for studies of skin protection emulsions from UV irradiation and as a humectant.
Physical properties
由于游离酸具有不稳定性和吸湿性，因此采用钙盐的形式。

Sigma Aldrich - P5155

Application
生物合成辅酶 A 的前体。
Physical properties
由于游离酸具有不稳定性和吸湿性，因此采用钙盐的形式。

Sigma Aldrich - P2250

Application
生物合成辅酶 A 的前体。
包装
5, 25, 100, 500 g in poly bottle
Biochem/physiol Actions
D-Panthenol is the alcohol analogue and biological precursor of D-pantothenic acid. These analogues are precursors in the biosynthesis of coenzyme A. D-Panthenol and D-Pantothenic acid are used in a variety of skin protection products. D-pantothenic acid may have a role in controlling keratinocyte proliferation and differentiation. D-Panthenol may be used for studies of skin protection emulsions from UV irradiation and as a humectant.
Physical properties
由于游离酸具有不稳定性和吸湿性，因此采用钙盐的形式。
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. P2250.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - P6045

Application
生物合成辅酶 A 的前体。
Physical properties
由于游离酸具有不稳定性和吸湿性，因此采用钙盐的形式。
Other Notes
Cell culture media are generally supplemented with D-Pantothenic acid (vitamin B5), an essential vitamin required for the synthesis of coenzyme-A (CoA) and the metabolism of proteins, carbohydrates, and fats.This product has been qualified for use in plant cell culture. Also see P5155 for D-Pantothenic acid qualified for use in animal, insect and plant cell culture.

Sigma Aldrich - C8731

Application
生物合成辅酶 A 的前体。
Physical properties
由于游离酸具有不稳定性和吸湿性，因此采用钙盐的形式。

Sigma Aldrich - 47867

Application
生物合成辅酶 A 的前体。
Physical properties
由于游离酸具有不稳定性和吸湿性，因此采用钙盐的形式。