ChemSpider 2D Image | glucoputranjivin | C10H19NO9S2

glucoputranjivin

  • Molecular FormulaC10H19NO9S2
  • Average mass361.389 Da
  • Monoisotopic mass361.050110 Da
  • ChemSpider ID28648707

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-S-[(1Z)-2-Methyl-N-(sulfooxy)propanimidoyl]-1-thio-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-S-[(1Z)-2-Methyl-N-(sulfooxy)propanimidoyl]-1-thio-β-D-glucopyranose [ACD/IUPAC Name]
1-S-[(1Z)-2-Méthyl-N-(sulfooxy)propanimidoyl]-1-thio-β-D-glucopyranose [French] [ACD/IUPAC Name]
glucoputranjivin
β-D-Glucopyranose, 1-S-[(1Z)-2-methyl-1-[(sulfooxy)imino]propyl]-1-thio- [ACD/Index Name]
18432-16-1 [RN]
1-Methylethyl glucosinolate
  • Miscellaneous

    • Chemical Class:

      An alkylglucosinolic acid that consists of 1-thio-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranose attached to a 2-methyl-<element>N</element>-(sulfooxy)propanimidoyl group at the anomeric sulfu r. ChEBI CHEBI:79331
      An alkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 2-methyl-N-(sulfooxy)propanimidoyl group at the anomeric sulfu; r. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:79331
      An alkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 2-methyl-N-(sulfooxy)propanimidoyl group at the anomeric sulfur. ChEBI CHEBI:79331

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 73.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.06
ACD/LogD (pH 5.5): -3.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 71.2±7.0 dyne/cm
Molar Volume: 202.3±7.0 cm3

Click to predict properties on the Chemicalize site


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