ChemSpider 2D Image | (2R)-2-[(S)-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}(carboxy)methyl]-5-vinyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | C14H15N5O6S2

(2R)-2-[(S)-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}(carboxy)methyl]-5-vinyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

  • Molecular FormulaC14H15N5O6S2
  • Average mass413.429 Da
  • Monoisotopic mass413.046387 Da
  • ChemSpider ID128434105

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-[(S)-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}(carboxy)methyl]-5-vinyl-3,6-dihydro-2H-1,3-thiazin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R)-2-[(S)-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}(carboxy)methyl]-5-vinyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid [ACD/IUPAC Name]
2H-1,3-Thiazine-2-acetic acid, α-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)-1-oxoethyl]amino]-4-carboxy-5-ethenyl-3,6-dihydro-, (αS,2R)- [ACD/Index Name]
Acide (2R)-2-[(S)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acétyl]amino}(carboxy)méthyl]-5-vinyl-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: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.789
Molar Refractivity: 96.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.96
ACD/LogD (pH 5.5): -3.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 86.8±7.0 dyne/cm
Molar Volume: 228.4±7.0 cm3

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