ChemSpider 2D Image | firibastat | C8H20N2O6S4

firibastat

  • Molecular FormulaC8H20N2O6S4
  • Average mass368.514 Da
  • Monoisotopic mass368.020416 Da
  • ChemSpider ID30649361

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-3-AMINO-4-{[(2S)-2-AMINO-4-SULFOBUTYL]DISULFANYL}BUTANE-1-SULFONIC ACID
(3S,3'S)-4,4'-Disulfandiylbis(3-amino-1-butansulfonsäure) [German] [ACD/IUPAC Name]
(3S,3'S)-4,4'-Disulfanediylbis(3-amino-1-butanesulfonic acid) [ACD/IUPAC Name]
1-Butanesulfonic acid, 4,4'-dithiobis[3-amino-, (3S,3'S)- [ACD/Index Name]
648927-86-0 [RN]
Acide (3S,3'S)-4,4'-disulfanediylbis(3-amino-1-butanesulfonique) [French] [ACD/IUPAC Name]
firibastat [INN]
firibastat [Spanish] [INN]
firibastat [French] [INN]
firibastatum [Latin] [INN]
More...

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

10591 [DBID]
638KY4573I [DBID]
UNII:638KY4573I [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.629
Molar Refractivity: 83.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -2.30
ACD/LogD (pH 5.5): -5.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 82.5±3.0 dyne/cm
Molar Volume: 233.7±3.0 cm3

Click to predict properties on the Chemicalize site


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