ChemSpider 2D Image | (3S,6S,7R,8R)-8-Benzyl-3-(3-hydroxy-4-methoxypicolinamido)-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl isobutyrate | C26H30N2O9

(3S,6S,7R,8R)-8-Benzyl-3-(3-hydroxy-4-methoxypicolinamido)-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl isobutyrate

  • Molecular FormulaC26H30N2O9
  • Average mass514.524 Da
  • Monoisotopic mass514.195129 Da
  • ChemSpider ID411705

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,6S,7R,8R)-3-[[(3-Hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino]-6-methyl-4,9-dioxo-8-(phenylmethyl)-1,5-dioxonan-7-yl 2-methylpropanoate
(3S,6S,7R,8R)-8-Benzyl-3-(3-hydroxy-4-methoxypicolinamido)-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl isobutyrate [ACD/IUPAC Name]
(3S,6S,7R,8R)-8-Benzyl-3-{[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate [ACD/IUPAC Name]
(3S,6S,7R,8R)-8-Benzyl-3-{[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
(3S,6S,7R,8R)-8-benzyl-3-{[(3-hydroxy-4-methoxypyridin-2-yl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate (non-preferred name)
167173-85-5 [RN]
2-Méthylpropanoate de (3S,6S,7R,8R)-8-benzyl-3-{[(3-hydroxy-4-méthoxy-2-pyridinyl)carbonyl]amino}-6-méthyl-4,9-dioxo-1,5-dioxonan-7-yle [French] [ACD/IUPAC Name]
8124863 [Beilstein]
844-009-5 [EINECS]
T9OV EOVTJ G1R& HOVY1&1 I1 CMV- BT6J CQ DO1 &&(3S,6S,7R,8R)- Form [WLN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS058491 [DBID]
AIDS-058491 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 782.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 427.0±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 129.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 2.60
ACD/KOC (pH 5.5): 27.00
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 150 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 386.8±5.0 cm3

Click to predict properties on the Chemicalize site


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