N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid

Modify Date: 2025-09-06 10:52:41

N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid Structure
N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid structure
Common Name N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid
CAS Number 145644-16-2 Molecular Weight 495.649
Density 1.2±0.1 g/cm3 Boiling Point 730.2±60.0 °C at 760 mmHg
Molecular Formula C27H45NO7 Melting Point N/A
MSDS N/A Flash Point 395.4±32.9 °C

 Names

Name N-[(1β,3α,5β,7α,8ξ,9ξ,12α,14ξ)-1,3,7,12-Tetrahydroxy-24-oxocholan-24-yl]-L-alanine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 730.2±60.0 °C at 760 mmHg
Molecular Formula C27H45NO7
Molecular Weight 495.649
Flash Point 395.4±32.9 °C
Exact Mass 495.319611
LogP 0.20
Vapour Pressure 0.0±5.4 mmHg at 25°C
Index of Refraction 1.569
InChIKey KHYZGCGRKWKJSL-ARRWNMQOSA-N
SMILES CC(NC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CC(O)C4(C)C3CC(O)C12C)C(=O)O

 Synonyms

N-[(1β,3α,5β,7α,8ξ,9ξ,12α,14ξ)-1,3,7,12-Tetrahydroxy-24-oxocholan-24-yl]-L-alanine
L-Alanine, N-[(1β,3α,5β,7α,8ξ,9ξ,12α,14ξ)-1,3,7,12-tetrahydroxy-24-oxocholan-24-yl]-
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