ChemSpider 2D Image | L-Seryl-(3S)-3-{(2S,3R,4R,5R)-5-[(4E)-4-(carbamoylimino)-3-methyl-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-thiophenyl}-D-serine | C16H24N6O9S

L-Seryl-(3S)-3-{(2S,3R,4R,5R)-5-[(4E)-4-(carbamoylimino)-3-methyl-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-thiophenyl}-D-serine

  • Molecular FormulaC16H24N6O9S
  • Average mass476.462 Da
  • Monoisotopic mass476.132538 Da
  • ChemSpider ID78440083

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

L-Seryl-(3S)-3-{(2S,3R,4R,5R)-5-[(4E)-4-(carbamoylimino)-3-methyl-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-thiophenyl}-D-serin [German] [ACD/IUPAC Name]
L-Seryl-(3S)-3-{(2S,3R,4R,5R)-5-[(4E)-4-(carbamoylimino)-3-methyl-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-thiophenyl}-D-serine [ACD/IUPAC Name]
L-Séryl-(3S)-3-{(2S,3R,4R,5R)-5-[(4E)-4-(carbamoylimino)-3-méthyl-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl]-3,4-dihydroxytétrahydro-2-thiophényl}-D-sérine [French] [ACD/IUPAC Name]
SB-217452

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.789
Molar Refractivity: 104.3±0.5 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.62
ACD/LogD (pH 5.5): -6.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 278 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 98.8±7.0 dyne/cm
Molar Volume: 246.6±7.0 cm3

Click to predict properties on the Chemicalize site


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