ChemSpider 2D Image | (5R,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one | C8H12N2O6S

(5R,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one

  • Molecular FormulaC8H12N2O6S
  • Average mass264.256 Da
  • Monoisotopic mass264.041595 Da
  • ChemSpider ID35034082

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5R,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-on [German] [ACD/IUPAC Name]
(5R,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one [ACD/IUPAC Name]
(5R,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxyméthyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]décan-4-one [French] [ACD/IUPAC Name]
6-Oxa-1-thia-3-azaspiro[4.5]decan-4-one, 8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-, (5R,7R,8S,9S,10R)- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.855
Molar Refractivity: 53.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.60
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.14
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.80
Polar Surface Area: 168 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 119.5±7.0 dyne/cm
Molar Volume: 118.7±7.0 cm3

Click to predict properties on the Chemicalize site


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