ChemSpider 2D Image | (6S)-1,5-Dideoxy-6-(7-{(2S,6R,8S,10S)-8-[(8E)-17-[(1R,5E,7E,11E,17E,21E,38E,45E,49E,53E,55E,59E,65S,66R,67R)-10,14,16,19,20,24,26,28,34,35,36,37,42,44,47,51,57,61,63,66,67-henicosahydroxy-13,40,49,56, 66-pentamethyl-2,30-dioxo-31,69-dioxa-3-azabicyclo[63.3.1]nonahexaconta-5,7,11,17,21,38,45,49,53,55,59-undecaen-32-yl]-4,6,7,10,13,14-hexahydroxy-12-methyl-15-(sulfooxy)-8-heptadecen-1-yl]-10-methyl-1 ,7-dioxaspiro[5.5]undec-2-yl}-1,2,5,6-tetrah | C128H220N2O53S2

(6S)-1,5-Dideoxy-6-(7-{(2S,6R,8S,10S)-8-[(8E)-17-[(1R,5E,7E,11E,17E,21E,38E,45E,49E,53E,55E,59E,65S,66R,67R)-10,14,16,19,20,24,26,28,34,35,36,37,42,44,47,51,57,61,63,66,67-henicosahydroxy-13,40,49,56, 66-pentamethyl-2,30-dioxo-31,69-dioxa-3-azabicyclo[63.3.1]nonahexaconta-5,7,11,17,21,38,45,49,53,55,59-undecaen-32-yl]-4,6,7,10,13,14-hexahydroxy-12-methyl-15-(sulfooxy)-8-heptadecen-1-yl]-10-methyl-1 ,7-dioxaspiro[5.5]undec-2-yl}-1,2,5,6-tetrah

  • Molecular FormulaC128H220N2O53S2
  • Average mass2699.228 Da
  • Monoisotopic mass2697.402344 Da
  • ChemSpider ID10480784

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 52 defined stereocentres

More details:

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

(6S)-1,5-Dideoxy-6-(7-{(2S,6R,8S,10S)-8-[(8E)-17-[(1R,5E,7E,11E,17E,21E,38E,45E,49E,53E,55E,59E,65S,66R,67R)-10,14,16,19,20,24,26,28,34,35,36,37,42,44,47,51,57,61,63,66,67-henicosahydroxy-13,40,49,56, 66-pentamethyl-2,30-dioxo-31,69-dioxa-3-azabicyclo[63.3.1]nonahexaconta-5,7,11,17,21,38,45,49,53,55,59-undecaen-32-yl]-4,6,7,10,13,14-hexahydroxy-12-methyl-15-(sulfooxy)-8-heptadecen-1-yl]-10-methyl-1 ,7-dioxaspiro[5.5]undec-2-yl}-1,2,5,6-tetrah [ACD/IUPAC Name]
(6S)-1,5-Didesoxy-6-(7-{(2S,6R,8S,10S)-8-[(8E)-17-[(1R,5E,7E,11E,17E,21E,38E,45E,49E,53E,55E,59E,65S,66R,67R)-10,14,16,19,20,24,26,28,34,35,36,37,42,44,47,51,57,61,63,66,67-henicosahydroxy-13,40,49,56 ,66-pentamethyl-2,30-dioxo-31,69-dioxa-3-azabicyclo[63.3.1]nonahexaconta-5,7,11,17,21,38,45,49,53,55,59-undecaen-32-yl]-4,6,7,10,13,14-hexahydroxy-12-methyl-15-(sulfooxy)-8-heptadecen-1-yl]-10-methyl- 1,7-dioxaspiro[5.5]undec-2-yl}-1,2,5,6-tetra [German] [ACD/IUPAC Name]
(6S)-1,5-Didésoxy-6-(7-{(2S,6R,8S,10S)-8-[(8E)-17-[(1R,5E,7E,11E,17E,21E,38E,45E,49E,53E,55E,59E,65S,66R,67R)-10,14,16,19,20,24,26,28,34,35,36,37,42,44,47,51,57,61,63,66,67-hénicosahydroxy-13,40,49,56 ,66-pentaméthyl-2,30-dioxo-31,69-dioxa-3-azabicyclo[63.3.1]nonahexaconta-5,7,11,17,21,38,45,49,53,55,59-undécaén-32-yl]-4,6,7,10,13,14-hexahydroxy-12-méthyl-15-(sulfooxy)-8-heptadécén-1-yl]-10-méthyl- 1,7-dioxaspiro[5.5]undéc-2-yl}-1,2,5,6-tétra [French] [ACD/IUPAC Name]
zooxanthellamide Cs

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 679.3±0.4 cm3
#H bond acceptors: 55
#H bond donors: 41
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: -9.32
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 1014 Å2
Polarizability: 269.3±0.5 10-24cm3
Surface Tension: 85.9±5.0 dyne/cm
Molar Volume: 1899.2±5.0 cm3

Click to predict properties on the Chemicalize site


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