ChemSpider 2D Image | N-{[(1S,3R,4S,5R)-1,3,4,5-Tetrahydroxycyclohexyl]carbonyl}-L-serine | C10H17NO8

N-{[(1S,3R,4S,5R)-1,3,4,5-Tetrahydroxycyclohexyl]carbonyl}-L-serine

  • Molecular FormulaC10H17NO8
  • Average mass279.244 Da
  • Monoisotopic mass279.095428 Da
  • ChemSpider ID23257608

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L-Serine, N-[[(1α,3α,4α,5β)-1,3,4,5-tetrahydroxycyclohexyl]carbonyl]- [ACD/Index Name]
N-{[(1S,3R,4S,5R)-1,3,4,5-Tetrahydroxycyclohexyl]carbonyl}-L-serin [German] [ACD/IUPAC Name]
N-{[(1S,3R,4S,5R)-1,3,4,5-Tetrahydroxycyclohexyl]carbonyl}-L-serine [ACD/IUPAC Name]
N-{[(1S,3R,4S,5R)-1,3,4,5-Tétrahydroxycyclohexyl]carbonyl}-L-sérine [French] [ACD/IUPAC Name]
3-Hydroxy-2-[((3R,5R)-1,3,5-trihydroxy-4-(S)-hydroxy-cyclohexanecarbonyl)-amino]-propionic acid
CHEMBL193022

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 674.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±6.0 kJ/mol
Flash Point: 361.9±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 59.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.97
ACD/LogD (pH 5.5): -5.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 125.1±3.0 dyne/cm
Molar Volume: 158.4±3.0 cm3

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