Found 4 results

Search term: NSTDWVVCICGULY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1Z,3R,4E,6E,8E,10E)-3-Hydroxy-N-{(2E,4E,6R,7R,9S)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]oct-8-yl]-9-methoxy-7-methyl-2,4-nonadien-1-yl}-2,2,4,10-tetramet hyl-11-nitro-4,6,8,10-dodecatetraenimidic acid | C36H53N3O10

(1Z,3R,4E,6E,8E,10E)-3-Hydroxy-N-{(2E,4E,6R,7R,9S)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]oct-8-yl]-9-methoxy-7-methyl-2,4-nonadien-1-yl}-2,2,4,10-tetramet hyl-11-nitro-4,6,8,10-dodecatetraenimidic acid

  • Molecular FormulaC36H53N3O10
  • Average mass687.820 Da
  • Monoisotopic mass687.373108 Da
  • ChemSpider ID34981629

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1Z,3R,4E,6E,8E,10E)-3-Hydroxy-N-{(2E,4E,6R,7R,9S)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]oct-8-yl]-9-methoxy-7-methyl-2,4-nonadien-1-yl}-2,2,4,10-tetramet hyl-11-nitro-4,6,8,10-dodecatetraenimidic acid [ACD/IUPAC Name]
(1Z,3R,4E,6E,8E,10E)-3-Hydroxy-N-{(2E,4E,6R,7R,9S)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]oct-8-yl]-9-methoxy-7-methyl-2,4-nonadien-1-yl}-2,2,4,10-tetramet hyl-11-nitro-4,6,8,10-dodecatetraenimidsäure [German] [ACD/IUPAC Name]
4,6,8,10-Dodecatetraenimidic acid, 3-hydroxy-N-[(2E,4E,6R,7R,9S)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]oct-8-yl]-9-methoxy-7-methyl-2,4-nonadien-1-yl]-2,2 ,4,10-tetramethyl-11-nitro-, (1Z,3R,4E,6E,8E,10E)- [ACD/Index Name]
Acide (1Z,3R,4E,6E,8E,10E)-3-hydroxy-N-{(2E,4E,6R,7R,9S)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-triméthyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]oct-8-yl]-9-méthoxy-7-méthyl-2,4-nonadién-1-yl}-2,2,4,10-té traméthyl-11-nitro-4,6,8,10-dodécatétraénimidique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3338258/
lajollamycin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 888.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.6±6.0 kJ/mol
Flash Point: 490.9±37.1 °C
Index of Refraction: 1.548
Molar Refractivity: 183.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 40.36
ACD/KOC (pH 5.5): 284.06
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 41.18
ACD/KOC (pH 7.4): 289.84
Polar Surface Area: 195 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 578.6±7.0 cm3

Click to predict properties on the Chemicalize site


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