ChemSpider 2D Image | (3beta,11beta,16beta,22S)-3,11,22-Trihydroxycholest-5-en-16-yl 6-deoxyhexopyranoside | C33H56O8

(3β,11β,16β,22S)-3,11,22-Trihydroxycholest-5-en-16-yl 6-deoxyhexopyranoside

  • Molecular FormulaC33H56O8
  • Average mass580.793 Da
  • Monoisotopic mass580.397522 Da
  • ChemSpider ID347981

  • defined stereocentres - 11 of 16 defined stereocentres

More details:

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

(3β,11β,16β,22S)-3,11,22-Trihydroxycholest-5-en-16-yl 6-deoxyhexopyranoside [ACD/IUPAC Name]
(3β,11β,16β,22S)-3,11,22-Trihydroxycholest-5-en-16-yl-6-desoxyhexopyranosid [German] [ACD/IUPAC Name]
6-Désoxyhexopyranoside de (3β,11β,16β,22S)-3,11,22-trihydroxycholest-5-én-16-yle [French] [ACD/IUPAC Name]
Hexopyranoside, (3β,11β,16β,22S)-3,11,22-trihydroxycholest-5-en-16-yl 6-deoxy- [ACD/Index Name]

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

NCI60_033389 [DBID]
NSC693185 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 715.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.5±6.0 kJ/mol
Flash Point: 386.8±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 214.06
ACD/KOC (pH 5.5): 1621.06
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 214.05
ACD/KOC (pH 7.4): 1621.05
Polar Surface Area: 140 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 472.2±5.0 cm3

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