Glycohyodeoxycholic acid
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Product Description
Product
Glycohyodeoxycholic acid
CAS
13042-33-6
Formula
C26H43NO5
Typical Product Specifications
Molecular weight
449.63
SMILES
C1C[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@@H]2C[C@@H]1O)[C@H](C)CCC(=O)NCC(=O)O)C)C
InChI
SPOIYSFQOFYOFZ-BRDORRHWSA-N
InChIKey
1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17+,18-,19+,20+,21+,22+,25-,26-/m1/s1
Water solubility
28.2 mg/L
Henry's Law Constant
9.38E-17 atm-m3/mole
log P (octanol-water)
2.15
Atmospheric OH Rate Constant
6.42E-11 cm3/molecule-sec
Vapor Pressure
8.36E-18 mm Hg
Class
Glycohyodeoxycholic acid
Product Description
Product
Glycohyodeoxycholic acid
CAS
13042-33-6
Formula
C26H43NO5
Typical Product Specifications
Molecular weight
449.63
SMILES
C1C[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@@H]2C[C@@H]1O)[C@H](C)CCC(=O)NCC(=O)O)C)C
InChI
SPOIYSFQOFYOFZ-BRDORRHWSA-N
InChIKey
1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17+,18-,19+,20+,21+,22+,25-,26-/m1/s1
Water solubility
28.2 mg/L
Henry's Law Constant
9.38E-17 atm-m3/mole
log P (octanol-water)
2.15
Atmospheric OH Rate Constant
6.42E-11 cm3/molecule-sec
Vapor Pressure
8.36E-18 mm Hg
Class
