ChemSpider 2D Image | (2R)-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}[(2R,5R)-5-methyl-7-oxo-1,2,5,7-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl]acetic acid | C14H15N5O6S2

(2R)-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}[(2R,5R)-5-methyl-7-oxo-1,2,5,7-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl]acetic acid

  • Molecular FormulaC14H15N5O6S2
  • Average mass413.429 Da
  • Monoisotopic mass413.046387 Da
  • ChemSpider ID34985601

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}[(2R,5R)-5-methyl-7-oxo-1,2,5,7-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl]acetic acid [ACD/IUPAC Name]
(2R)-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}[(2R,5R)-5-methyl-7-oxo-1,2,5,7-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl]essigsäure [German] [ACD/IUPAC Name]
4H-Furo[3,4-d][1,3]thiazine-2-acetic acid, α-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)-1-oxoethyl]amino]-1,2,5,7-tetrahydro-5-methyl-7-oxo-, (αR,2R,5R)- [ACD/Index Name]
Acide (2R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acétyl]amino}[(2R,5R)-5-méthyl-7-oxo-1,2,5,7-tétrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl]acétique [French] [ACD/IUPAC Name]
(2R)-2-((Z)-2-(2-AMINOTHIAZOL-4-YL)-2-(HYDROXYIMINO)ACETAMIDO)2-((2RS,5RS)-5-METHYL-7-OXO-2,4,5,7-TETRAHYDRO-1H-FURO(3,4-D)(1,3)THIAZIN-2-YL)ACETIC ACID
178422-42-9 [RN]
UNII-5U6BX3A1F6

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.866
Molar Refractivity: 94.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -3.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 230 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 96.8±7.0 dyne/cm
Molar Volume: 209.0±7.0 cm3

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