Found 6 results

Search term: GVPONLWGQFZYSV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | PANTOTHENOYLAMINOETHENETHIOL | C11H20N2O4S

PANTOTHENOYLAMINOETHENETHIOL

  • Molecular FormulaC11H20N2O4S
  • Average mass276.353 Da
  • Monoisotopic mass276.114380 Da
  • ChemSpider ID25058328

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2,4-Dihydroxy-3,3-dimethyl-N-(3-oxo-3-{[(E)-2-sulfanylvinyl]amino}propyl)butanamid [German] [ACD/IUPAC Name]
(2R)-2,4-Dihydroxy-3,3-dimethyl-N-(3-oxo-3-{[(E)-2-sulfanylvinyl]amino}propyl)butanamide [ACD/IUPAC Name]
(2R)-2,4-Dihydroxy-3,3-diméthyl-N-(3-oxo-3-{[(E)-2-sulfanylvinyl]amino}propyl)butanamide [French] [ACD/IUPAC Name]
Butanamide, 2,4-dihydroxy-N-[3-[[(E)-2-mercaptoethenyl]amino]-3-oxopropyl]-3,3-dimethyl-, (2R)- [ACD/Index Name]
PANTOTHENOYLAMINOETHENETHIOL
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(2-{[(E)-2-sulfanylethenyl]carbamoyl}ethyl)butanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 627.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 333.3±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 71.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.01
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.64
Polar Surface Area: 137 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 225.1±3.0 cm3

Click to predict properties on the Chemicalize site


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