硫酸软骨素C
Chondroitin sulfate C sodium salt · CAS 12678-07-8
- 中文名
- 硫酸软骨素C
- 中文别名
- 暂无
- 英文名
- Chondroitin sulfate C sodium salt
- CAS
- 12678-07-8
- CID
- 42609007
- IUPAC 名称
- 3-[3-acetamido-4-[5-[3-acetamido-4-[5-[3-acetamido-4,5-dihydroxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-carboxylato-3,4-dihydroxyoxan-2-yl]oxy-5-hydroxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-carboxylato-3,4-dihydroxyoxan-2-yl]oxy-5-hydroxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylate
名称与编号
- 中文名
- 硫酸软骨素C
- 中文别名
- 暂无
- 英文名
- Chondroitin sulfate C sodium salt
- CAS
- 12678-07-8
- CID
- 42609007
- IUPAC 名称
- 3-[3-acetamido-4-[5-[3-acetamido-4-[5-[3-acetamido-4,5-dihydroxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-carboxylato-3,4-dihydroxyoxan-2-yl]oxy-5-hydroxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-carboxylato-3,4-dihydroxyoxan-2-yl]oxy-5-hydroxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylate
分子属性
- 分子式
- C42H59N3O43S3-6
- 分子量
- 1390.1 g/mol
- 精确质量
- 1389.168441 Da
- 单同位素质量
- 1389.168441 Da
- XLogP
- -12.6
- 极性表面积
- 756 Ų
- 氢键供体
- 14
- 氢键受体
- 43
- 可旋转键
- 19
- 重原子数
- 91
- 净电荷
- -6
- 结构复杂度
- 2840
结构标识
- InChIKey
- ABHQVWCLVQDEKE-UHFFFAOYSA-H
- SMILES
- CC(=O)NC1C(C(C(OC1OC2C(C(C(OC2C(=O)[O-])OC3C(C(OC(C3O)COS(=O)(=O)[O-])OC4C(C(C(OC4C(=O)[O-])OC5C(C(OC(C5O)COS(=O)(=O)[O-])OC6C(C(C(OC6C(=O)[O-])O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)COS(=O)(=O)[O-])O)O
- InChI
- InChI=1S/C42H65N3O43S3/c1-7(46)43-13-19(52)16(49)10(4-75-89(66,67)68)78-38(13)84-29-21(54)24(57)41(87-32(29)35(61)62)83-27-15(45-9(3)48)40(80-12(18(27)51)6-77-91(72,73)74)86-30-22(55)25(58)42(88-33(30)36(63)64)82-26-14(44-8(2)47)39(79-11(17(26)50)5-76-90(69,70)71)85-28-20(53)23(56)37(65)81-31(28)34(59)60/h10-33,37-42,49-58,65H,4-6H2,1-3H3,(H,43,46)(H,44,47)(H,45,48)(H,59,60)(H,61,62)(H,63,64)(H,66,67,68)(H,69,70,71)(H,72,73,74)/p-6