ChemSpider 2D Image | (2R)-5-[(Carbamoyloxy)methyl]-2-[(R)-carboxy{[(2E)-2-(2-furyl)-2-(methoxyimino)acetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | C16H18N4O9S

(2R)-5-[(Carbamoyloxy)methyl]-2-[(R)-carboxy{[(2E)-2-(2-furyl)-2-(methoxyimino)acetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

  • Molecular FormulaC16H18N4O9S
  • Average mass442.401 Da
  • Monoisotopic mass442.079437 Da
  • ChemSpider ID107450117

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-5-[(Carbamoyloxy)methyl]-2-[(R)-carboxy{[(2E)-2-(2-furyl)-2-(methoxyimino)acetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R)-5-[(Carbamoyloxy)methyl]-2-[(R)-carboxy{[(2E)-2-(2-furyl)-2-(methoxyimino)acetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid [ACD/IUPAC Name]
2H-1,3-Thiazine-2-acetic acid, 5-[[(aminocarbonyl)oxy]methyl]-4-carboxy-α-[[(2E)-2-(2-furanyl)-2-(methoxyimino)-1-oxoethyl]amino]-3,6-dihydro-, (αR,2R)- [ACD/Index Name]
Acide (2R)-5-[(carbamoyloxy)méthyl]-2-[(R)-carboxy{[(2E)-2-(2-furyl)-2-(méthoxyimino)acétyl]amino}méthyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 99.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 73.2±7.0 dyne/cm
Molar Volume: 260.7±7.0 cm3

Click to predict properties on the Chemicalize site


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