(3R,6R)-3,6-bis(13C)methyl-1,4-dioxane-2,5-dione

• ChemBase编号: 172161
• 分子式: C6H8O4
• 平均质量: 146.11062968
• 单一同位素质量: 146.04896841
• SMILES: C1(=O)[C@@H](OC(=O)[C@@H](O1)[13CH3])[13CH3]
• Canonical SMILES: [13CH3][C@@H]1OC(=O)[C@@H](OC1=O)[13CH3]
• InChI: InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4-/m0/s1/i1+1,2+1
• InChIKey: JJTUDXZGHPGLLC-IPSUFKGASA-N

名称和登记号

名称

• IUPAC标准名: (3R,6R)-3,6-bis(^1^3C)methyl-1,4-dioxane-2,5-dione
• IUPAC传统名: (3R,6R)-3,6-bis(^1^3C)methyl-1,4-dioxane-2,5-dione
• 别名: (3S,6S)-3,6-Dimethyl-1,4-dioxane-2,5-dione-13C2; (3S-cis)-3,6-Dimethyl-1,4-dioxane-2,5-dione-13C2; L-3,6-Dimethyl-p-dioxane-2,5-dione-13C2; (-)-L-Dilactide-13C2; (S,S)-3,6-Dimethyl-1,4-dioxane-2,5-dione-13C2; L,L-Dilactide-13C2; L-Dilactide-13C2; L-Lactide-13C2; LL-Lactide-13C2; Purasorb L-13C2; L-(-)-Lactide-13C2

登记号

• PubChem SID: 164228071
• PubChem CID: 71749714

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.3852832
• LogD (pH = 7.4): 0.3852832
• Log P: 0.3852832
• 摩尔折射率: 30.6952 cm^3
• 极化性: 12.73627 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - L113602

Labeled L-(-)-Lactide, a cyclic lactic acid derivative used in the ring-opening polymerization of Poly-L-lactic acid (PLLA), which is commonly found in biodegradable plastics. Polymers derived from L-(-)-Lactide also provide a therapeutic use in the field

参考文献

• Nakamura, T. et al.: J. Biomed. Mat. Res., 23, 1115 (1999)
• Otto, T.E. et al.: J. Biomed. Mat. Res., 32, 513 (1999)
• Kale, G. et al.: Pach. Technol. Sci., 20, 49 (1999)