ChemSpider 2D Image | (2R,4R,5R)-2-[(1R)-1-{[(2R)-2-{[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid | C23H29N5O8S

(2R,4R,5R)-2-[(1R)-1-{[(2R)-2-{[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid

  • Molecular FormulaC23H29N5O8S
  • Average mass535.570 Da
  • Monoisotopic mass535.173706 Da
  • ChemSpider ID59053485

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,4R,5R)-2-[(1R)-1-{[(2R)-2-{[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinan-4-carbonsäure [German] [ACD/IUPAC Name]
(2R,4R,5R)-2-[(1R)-1-{[(2R)-2-{[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid [ACD/IUPAC Name]
2H-1,3-Thiazine-4-carboxylic acid, 2-[(1R)-1-[[(2R)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoethyl]tetrahydro-5-methyl-, (2R,4R,5R)- [ACD/Index Name]
Acide (2R,4R,5R)-2-[(1R)-1-{[(2R)-2-{[(4-éthyl-2,3-dioxo-1-pipérazinyl)carbonyl]amino}-2-(4-hydroxyphényl)acétyl]amino}-2-oxoéthyl]-5-méthyl-1,3-thiazinane-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 130.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 380.1±3.0 cm3

Click to predict properties on the Chemicalize site


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