ChemSpider 2D Image | odevixibat | C37H48N4O8S2

odevixibat

  • Molecular FormulaC37H48N4O8S2
  • Average mass740.929 Da
  • Monoisotopic mass740.291382 Da
  • ChemSpider ID8329135
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-2-{[(2R)-2-[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}butanoic acid [ACD/IUPAC Name]
(2S)-2-{[(2R)-2-[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}butansäure [German] [ACD/IUPAC Name]
501692-44-0 [RN]
Acide (2S)-2-{[(2R)-2-[(2-{[3,3-dibutyl-7-(méthylsulfanyl)-1,1-dioxydo-5-phényl-2,3,4,5-tétrahydro-1,2,5-benzothiadiazépin-8-yl]oxy}acétyl)amino]-2-(4-hydroxyphényl)acétyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[(2R)-2-[[2-[[3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,2,5-benzothiadiazepin-8-yl]oxy]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-, (2S)- [ACD/Index Name]
odevixibat [INN]
odevixibat [Spanish] [INN]
odévixibat [French] [INN]
odevixibatum [Latin] [INN]
одевиксибат [Russian] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2W150K0UUC [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 198.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 51.09
ACD/KOC (pH 5.5): 140.76
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 1.95
ACD/KOC (pH 7.4): 5.37
Polar Surface Area: 208 Å2
Polarizability: 78.8±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 549.8±5.0 cm3

Click to predict properties on the Chemicalize site






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