Found 1 result

Search term: 78439127 (Found by CSID)
ChemSpider 2D Image | N~1~-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-Benzyl-5-(4-hydroxybenzyl)-15-{3-[(2-hydroxyethyl)amino]-3-oxopropyl}-21-methoxy-4,8,11-trimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3. 1]docos-12-yl]-N~2~-[(2E)-2-methyl-2-butenoyl]-L-glutamamide | C49H67N9O14

N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-Benzyl-5-(4-hydroxybenzyl)-15-{3-[(2-hydroxyethyl)amino]-3-oxopropyl}-21-methoxy-4,8,11-trimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3. 1]docos-12-yl]-N2-[(2E)-2-methyl-2-butenoyl]-L-glutamamide

  • Molecular FormulaC49H67N9O14
  • Average mass1006.108 Da
  • Monoisotopic mass1005.480774 Da
  • ChemSpider ID78439127

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

L-Glutamamide, N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-[3-[(2-hydroxyethyl)amino]-3-oxopropyl]-5-[(4-hydroxyphenyl)methyl]-21-methoxy-4,8,11-trimethyl-3,6,9,13,16,22-hexaoxo-2-(phenylmethyl)-10-oxa-1, ;4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]-N2-[(2E)-2-methyl-1-oxo-2-buten-1-yl]- [ACD/Index Name]
N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-Benzyl-5-(4-hydroxybenzyl)-15-{3-[(2-hydroxyethyl)amino]-3-oxopropyl}-21-methoxy-4,8,11-trimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3. 1]docos-12-yl]-N2-[(2E)-2-methyl-2-butenoyl]-L-glutamamid [German] [ACD/IUPAC Name]
N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-Benzyl-5-(4-hydroxybenzyl)-15-{3-[(2-hydroxyethyl)amino]-3-oxopropyl}-21-methoxy-4,8,11-trimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3. 1]docos-12-yl]-N2-[(2E)-2-methyl-2-butenoyl]-L-glutamamide [ACD/IUPAC Name]
N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-Benzyl-5-(4-hydroxybenzyl)-15-{3-[(2-hydroxyéthyl)amino]-3-oxopropyl}-21-méthoxy-4,8,11-triméthyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3. 1]docos-12-yl]-N2-[(2E)-2-méthyl-2-butenoyl]-L-glutamamide [French] [ACD/IUPAC Name]
Dinghupeptin B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1432.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 228.9±3.0 kJ/mol
Flash Point: 819.8±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 259.2±0.4 cm3
#H bond acceptors: 23
#H bond donors: 10
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -3.89
ACD/LogD (pH 5.5): -2.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 334 Å2
Polarizability: 102.8±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 740.8±5.0 cm3

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