ChemSpider 2D Image | (4R,5S,8Z)-8-(2-Amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid | C22H24N8O13S2

(4R,5S,8Z)-8-(2-Amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid

  • Molecular FormulaC22H24N8O13S2
  • Average mass672.602 Da
  • Monoisotopic mass672.090393 Da
  • ChemSpider ID35033483

  • 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

(4R,5S,8Z)-8-(2-Amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid [ACD/IUPAC Name]
(4R,5S,8Z)-8-(2-Amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-säure [German] [ACD/IUPAC Name]
(4r,5s,8z)-8-(2-Amino-1,3-Thiazol-4-Yl)-1-[3-(1,5-Dihydroxy-4-Oxo-1,4-Dihydropyridin-2-Yl)-1,2-Oxazol-5-Yl]-5-Formyl-11,11-Dimethyl-1,7-Dioxo-4-(Sulfoamino)-10-Oxa-2,6,9-Triazadodec-8-En-12-Oic Acid
10-Oxa-2,6,9-triazadodec-8-en-12-oic acid, 8-(2-amino-4-thiazolyl)-1-[3-(1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)-5-isoxazolyl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-, (4R,5S,8Z)- [ACD/Index Name]
Acide (4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)-1,2-oxazol-5-yl]-5-formyl-11,11-diméthyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodéc-8-én-12-oïqu e [French] [ACD/IUPAC Name]

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: 1.755
Molar Refractivity: 148.7±0.5 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -5.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 363 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 90.4±7.0 dyne/cm
Molar Volume: 362.9±7.0 cm3

Click to predict properties on the Chemicalize site


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