Found 1 result

Search term: 17262763 (Found by CSID)
ChemSpider 2D Image | (2R)-3-{[(2S)-1-{[(2S)-1-{[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-Benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3 .1]docos-12-yl]amino}-4-(4-hydroxyphenyl)-1-oxo-2-butanyl]amino}-1-oxo-2-propanyl]amino}-2-hydroxy-3-oxopropyl hydrogen sulfate | C53H68N8O18S

(2R)-3-{[(2S)-1-{[(2S)-1-{[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-Benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3 .1]docos-12-yl]amino}-4-(4-hydroxyphenyl)-1-oxo-2-butanyl]amino}-1-oxo-2-propanyl]amino}-2-hydroxy-3-oxopropyl hydrogen sulfate

  • Molecular FormulaC53H68N8O18S
  • Average mass1137.215 Da
  • Monoisotopic mass1136.437256 Da
  • ChemSpider ID17262763

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2R)-3-{[(2S)-1-{[(2S)-1-{[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-Benzyl-15-ethyliden-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3. 1]docos-12-yl]amino}-4-(4-hydroxyphenyl)-1-oxo-2-butanyl]amino}-1-oxo-2-propanyl]amino}-2-hydroxy-3-oxopropylhydrogensulfat [German] [ACD/IUPAC Name]
(2R)-3-{[(2S)-1-{[(2S)-1-{[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]amino}-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]amino}-1-oxopropan-2-yl]amino}-2-hydroxy-3-oxopropyl hydrogen sulfate
(2R)-3-{[(2S)-1-{[(2S)-1-{[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-Benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3 .1]docos-12-yl]amino}-4-(4-hydroxyphenyl)-1-oxo-2-butanyl]amino}-1-oxo-2-propanyl]amino}-2-hydroxy-3-oxopropyl hydrogen sulfate [ACD/IUPAC Name]
Benzenebutanamide, N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-8-(1-methylethyl)-3,6,9,13,16,22-hexaoxo-2-(phenylmethyl)-10-oxa-1,4,7,14,17-pen ;taazabicyclo[16.3.1]docos-12-yl]-4-hydroxy-α-[[(2S)-2-[[(2R)-2-hydroxy-1-oxo-3-(sulfooxy)propyl]amino]-1-oxopropyl]amino]-, (αS)- [ACD/Index Name]
benzenebutanamide, N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-8-(1-methylethyl)-3,6,9,13,16,22-hexaoxo-2-(phenylmethyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]-4-hydroxy-α-[[(2S)-2-[[(2R)-2-hydroxy-1-oxo-3-(sulfooxy)propyl]amino]-1-oxopropyl]amino]-, (αS)-
Hydrogénosulfate de (2R)-3-{[(2S)-1-{[(2S)-1-{[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-éthylidène-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-diméthyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17- pentaazabicyclo[16.3.1]docos-12-yl]amino}-4-(4-hydroxyphényl)-1-oxo-2-butanyl]amino}-1-oxo-2-propanyl]amino}-2-hydroxy-3-oxopropyle [French] [ACD/IUPAC Name]
[(2R)-2-{[(1S)-1-{[(1S)-1-{[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]carbamoyl}-3-(4-hydroxyphenyl)propyl]carbamoyl}ethyl]carbamoyl}-2-hydroxyethoxy]sulfonic acid
lyngbyastatin 4

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 284.3±0.4 cm3
#H bond acceptors: 26
#H bond donors: 11
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -4.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 394 Å2
Polarizability: 112.7±0.5 10-24cm3
Surface Tension: 80.5±5.0 dyne/cm
Molar Volume: 776.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement