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

• ChemBase编号: 102342
• 分子式: C18H32CaN2O10
• 平均质量: 476.53208
• 单一同位素质量: 476.16828621
• SMILES: CC(C)(CO)C(O)C(=O)NCCC(=O)O[Ca]OC(=O)CCNC(=O)C(O)C(C)(C)CO
• Canonical SMILES: OCC(C(C(=O)NCCC(=O)O[Ca]OC(=O)CCNC(=O)C(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
• InChIKey: FAPWYRCQGJNNSJ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: {[3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoyl]oxy}calcio 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate
• IUPAC传统名: {[3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoyl]oxy}calcio 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate
• 别名: 泛酸钙; D-Calcium pantothenate; Vitamin B5; (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-b-alanine hemicalcium salt; Chick antidermatitis factor; D-PANTOTHENIC ACID CALCIUM SALT USP GRADE; (±)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-β-alanine; DL-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-β-alanine; Calcium pantothenate; DL-Pantothenic acid hemicalcium salt

登记号

• CAS号: 137-08-6; 63409-48-3
• EC号: 205-278-9
• MDL号: MFCD00063189
• PubChem SID: 24899013; 162088466; 24898756
• PubChem CID: 2529

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

• 熔点: 138 °C (dec.)(lit.); 170-172°C

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: RU4375000
• 德国WGK号: 3
• 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: ≥97% (TLC)
• 级别: USP
• 适用性: suitable for cell culture; suitable for insect cell culture
• 产品线: BioReagent
• 线性分子式: HOCH2C(CH3)2CH(OH)CONHCH2CH2CO2- · 1/2Ca2+

详细说明

MP Biomedicals - 02101228

Calcium Salt
Crystalline
Meets or exceeds USP specifications.

Sigma Aldrich - P6292

Biochem/physiol Actions
A vitamin that supports the synthesis of carbohydrates, proteins and fats through formation of coenzyme-A (CoA).
Caution
This product is a mixture of D and L isomers. Only the dextrorotatory (D) isomer of pantothenic acid possesses biologic activity. The levorotatory (L) form may antagonize the effects of the dextrorotatory isomer.
Application
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.