ChemSpider 2D Image | J6UQP7JHOT | C25H26N6O8S

J6UQP7JHOT

  • Molecular FormulaC25H26N6O8S
  • Average mass570.574 Da
  • Monoisotopic mass570.153259 Da
  • ChemSpider ID7845545

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S-(2a,5a,6b(S*)))-6-(((((3-((2-Furanylmethylene)amino)-2-oxo-1-imidazolidinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid
(2S,5R,6R)-6-((2R)-2-(3-((E)-Furfurylideneamino)-2-oxo-1-imidazolidinecarboxamido)-2-(p-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid
(2S,5R,6R)-6-{[(2R)-2-[({3-[(E)-(2-Furylmethylen)amino]-2-oxo-1-imidazolidinyl}carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,5R,6R)-6-{[(2R)-2-[({3-[(E)-(2-Furylmethylene)amino]-2-oxo-1-imidazolidinyl}carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [ACD/IUPAC Name]
(2S,5R,6R)-6-{[(2R)-2-{[(3-{[(E)-2-Furylmethylene]amino}-2-oxoimidazolidin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-6-{[(2R)-2-{[(3-{[(E)-furan-2-ylmethylidene]amino}-2-oxoimidazolidin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-[[[3-[[(1E)-2-furanylmethylene]amino]-2-oxo-1-imidazolidinyl]carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5 R,6R)- [ACD/Index Name]
4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-[[[3-[[(1E)-2-furanylmethylene]amino]-2-oxo-1-imidazolidinyl]carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
66327-51-3 [RN]
Acide (2S,5R,6R)-6-{[(2R)-2-[({3-[(E)-(2-furylméthylène)amino]-2-oxo-1-imidazolidinyl}carbonyl)amino]-2-(4-hydroxyphényl)acétyl]amino}-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxyliq ue [French] [ACD/IUPAC Name]
More...

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

4537 [DBID]

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: 1.759
Molar Refractivity: 141.4±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.43
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 76.1±7.0 dyne/cm
Molar Volume: 343.8±7.0 cm3

Click to predict properties on the Chemicalize site


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