N-Methyl-N-[(3α,5Beta,7α,8Xi,9Xi,12α,14Xi)-3,7,12-Trihydroxy-24-Oxocholan-24-Yl]Glycine
Properties
Property | Value |
---|---|
Formula | C27H45NO6 |
IUPAC Name | 2-[methyl-[(4s)-4-[(3r,5s,7r,8s,9r,10s,12s,13r,14r,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid |
Molecular Mass | 479.649 g·mol−1 |
Heat of Formation | -1414.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.21 ± 1.08 D |
Volume | 599.11 Å 3 |
Surface Area | 446.26 Å 2 |
HOMO Energy | -9.63 ± 0.55 eV |
LUMO Energy | 3.58 ± eV |
Point Group Symmetry | C1 |
InChIKey | DRRMEMPJCIGHMB-GBMBSMIESA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C O N |