ChemSpider 2D Image | volixibat | C38H51N3O12S2

volixibat

  • Molecular FormulaC38H51N3O12S2
  • Average mass805.954 Da
  • Monoisotopic mass805.291443 Da
  • ChemSpider ID35099493

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1025216-57-2 [RN]
3-O-Benzyl-N-({3-[(3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]phenyl}carbamoyl)-6-O-sulfo-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
3-O-Benzyl-N-({3-[(3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]phenyl}carbamoyl)-6-O-sulfo-β-D-glucopyranosylamine [ACD/IUPAC Name]
3-O-Benzyl-N-({3-[(3S,4R,5R)-3-butyl-7-(diméthylamino)-3-éthyl-4-hydroxy-1,1-dioxydo-2,3,4,5-tétrahydro-1-benzothiépin-5-yl]phényl}carbamoyl)-6-O-sulfo-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
UNII:X2JZ0451H8
volixibat [INN] [USAN]
volixibat [French] [INN]
volixibat [Spanish] [INN]
volixibatum [Latin] [INN]
X2JZ0451H8
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10072 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 204.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 5.35
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 238 Å2
Polarizability: 81.2±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 560.7±5.0 cm3

Click to predict properties on the Chemicalize site


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