ChemSpider 2D Image | (7S,9E,11S,12S,13S,14S,15R,16R,17S,18S)-2,15,17,36-Tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.1~4,7~.0~5,35~.0~26,34~.0~27,32~]hept
atriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl acetate | C43H51N3O11

(7S,9E,11S,12S,13S,14S,15R,16R,17S,18S)-2,15,17,36-Tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]hept atriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl acetate

  • Molecular FormulaC43H51N3O11
  • Average mass785.878 Da
  • Monoisotopic mass785.352356 Da
  • ChemSpider ID4940837
  • 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

(7S,9E,11S,12S,13S,14S,15R,16R,17S,18S)-2,15,17,36-Tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]hept atriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl acetate [ACD/IUPAC Name]
(7S,9E,11S,12S,13S,14S,15R,16R,17S,18S)-2,15,17,36-Tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]hept atriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl-acetat [German] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)furo[2'',3'':7',8']naphth[1',2':4,5]imidazo[1,2-a]pyridine-1,15(2H)-dione, 25-(acetyloxy)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-, ( 2S,20S,21S,22R,23R,24S,25S,26S,27S,28E)- [ACD/Index Name]
Acétate de (7S,9E,11S,12S,13S,14S,15R,16R,17S,18S)-2,15,17,36-tétrahydroxy-11-méthoxy-3,7,12,14,16,18,22,30-octaméthyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.0 27,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undécaén-13-yle [French] [ACD/IUPAC Name]
(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26S,27S,28E)-5,6,21,23,25 Pentahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-2,7-(epoxypentadeca(1,11,13)trienimino)benzofuro(4,5-e)pyrido(1,2-a)benzimidazole-1,15(2H)-dione, 25-acetate
2,7-(Epoxypentadeca(1,11,13)trienimino)benzofuro(4,5-e)pyrido(1,2-a)benzimidazole-1,15(2H)-dione, 25-(acetyloxy)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-, (2S-(2R*,16Z,18E,20R*,21R*,22S*,23S*,24S*,25R*,26S*,27R*,28E))-
4-Deoxy-4'-methylpyrido(1',2'-1,2)imidazo(5,4-c)rifamycin SV
80621-81-4 [RN]
88747-56-2 [RN]
Fatroximin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 3584528 [DBID]
D02554 [DBID]
L 105 [DBID]
L-105 [DBID]
α-0817185 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 205.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 6.22
ACD/KOC (pH 5.5): 38.51
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.38
Polar Surface Area: 198 Å2
Polarizability: 81.5±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 575.3±7.0 cm3

Click to predict properties on the Chemicalize site