ChemSpider 2D Image | nagahamide A | C39H64N8O14

nagahamide A

  • Molecular FormulaC39H64N8O14
  • Average mass868.971 Da
  • Monoisotopic mass868.454224 Da
  • ChemSpider ID9117155

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2R)-2-{(3S,6S,9S,15S,19S,23E,25E,28S,29S,30R)-6-[(1R)-2-Amino-1-hydroxy-2-oxoethyl]-19-hydroxy-15-(hydroxymethyl)-3-isopropyl-28-methoxy-29-methyl-2,5,8,11,14,17,22-heptaoxo-30-[(2S)-2-pentanyl]-1-ox a-4,7,10,13,16,21-hexaazacyclotriaconta-23,25-dien-9-yl}propanamid [German] [ACD/IUPAC Name]
(2R)-2-{(3S,6S,9S,15S,19S,23E,25E,28S,29S,30R)-6-[(1R)-2-Amino-1-hydroxy-2-oxoethyl]-19-hydroxy-15-(hydroxymethyl)-3-isopropyl-28-methoxy-29-methyl-2,5,8,11,14,17,22-heptaoxo-30-[(2S)-2-pentanyl]-1-ox a-4,7,10,13,16,21-hexaazacyclotriaconta-23,25-dien-9-yl}propanamide [ACD/IUPAC Name]
(2R)-2-{(3S,6S,9S,15S,19S,23E,25E,28S,29S,30R)-6-[(1R)-2-Amino-1-hydroxy-2-oxoéthyl]-19-hydroxy-15-(hydroxyméthyl)-3-isopropyl-28-méthoxy-29-méthyl-2,5,8,11,14,17,22-heptaoxo-30-[(2S)-2-pentanyl]-1-ox a-4,7,10,13,16,21-hexaazacyclotriaconta-23,25-dién-9-yl}propanamide [French] [ACD/IUPAC Name]
1-Oxa-4,7,10,13,16,21-hexaazacyclotriaconta-23,25-diene-6,9-diacetamide, α6,19-dihydroxy-15-(hydroxymethyl)-28-methoxy-α9,29-dimethyl-30-[(1S)-1-methylbutyl]-3-(1-methylethyl)-2,5,8,11,14, ;17,22-heptaoxo-, (α6R,α9R,3S,6S,9S,15S,19S,23E,25E,28S,29S,30R)- [ACD/Index Name]
nagahamide A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1341.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 227.7±6.0 kJ/mol
Flash Point: 765.1±34.3 °C
Index of Refraction: 1.572
Molar Refractivity: 218.4±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -5.59
ACD/LogD (pH 5.5): -4.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 357 Å2
Polarizability: 86.6±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 663.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement