ChemSpider 2D Image | (5R,9S,12S,13S,14R,20S,23R,24S,25S)-12,17-Di[(2S)-2-butanyl]-13-hydroxy-20-[(1R)-1-hydroxyethyl]-23-[(2S,3S,4R)-3-hydroxy-4-methyl-2-heptanyl]-25-methoxy-5,9,14,24-tetramethyl-16,22-dioxa-3,7,28-trith ia-11,19,30,31,32-pentaazatetracyclo[25.2.1.1~2,5~.1~6,9~]dotriaconta-1(29),2(32),6(31),27(30)-tetraene-10,15,18,21-tetrone | C45H73N5O10S3

(5R,9S,12S,13S,14R,20S,23R,24S,25S)-12,17-Di[(2S)-2-butanyl]-13-hydroxy-20-[(1R)-1-hydroxyethyl]-23-[(2S,3S,4R)-3-hydroxy-4-methyl-2-heptanyl]-25-methoxy-5,9,14,24-tetramethyl-16,22-dioxa-3,7,28-trith ia-11,19,30,31,32-pentaazatetracyclo[25.2.1.12,5.16,9]dotriaconta-1(29),2(32),6(31),27(30)-tetraene-10,15,18,21-tetrone

  • Molecular FormulaC45H73N5O10S3
  • Average mass940.284 Da
  • Monoisotopic mass939.451965 Da
  • ChemSpider ID78440140

  • defined stereocentres - 15 of 16 defined stereocentres

More details:

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

(5R,9S,12S,13S,14R,20S,23R,24S,25S)-12,17-Di[(2S)-2-butanyl]-13-hydroxy-20-[(1R)-1-hydroxyethyl]-23-[(2S,3S,4R)-3-hydroxy-4-methyl-2-heptanyl]-25-methoxy-5,9,14,24-tetramethyl-16,22-dioxa-3,7,28-trith ;ia-11,19,30,31,32-pentaazatetracyclo[25.2.1.12,5.16,9]dotriaconta-1(29),2(32),6(31),27(30)-tetraen-10,15,18,21-tetron [German] [ACD/IUPAC Name]
(5R,9S,12S,13S,14R,20S,23R,24S,25S)-12,17-Di[(2S)-2-butanyl]-13-hydroxy-20-[(1R)-1-hydroxyethyl]-23-[(2S,3S,4R)-3-hydroxy-4-methyl-2-heptanyl]-25-methoxy-5,9,14,24-tetramethyl-16,22-dioxa-3,7,28-trith ;ia-11,19,30,31,32-pentaazatetracyclo[25.2.1.12,5.16,9]dotriaconta-1(29),2(32),6(31),27(30)-tetraene-10,15,18,21-tetrone [ACD/IUPAC Name]
(5R,9S,12S,13S,14R,20S,23R,24S,25S)-12,17-Di[(2S)-2-butanyl]-13-hydroxy-20-[(1R)-1-hydroxyéthyl]-23-[(2S,3S,4R)-3-hydroxy-4-méthyl-2-heptanyl]-25-méthoxy-5,9,14,24-tétraméthyl-16,22-dioxa-3,7,28-trith ;ia-11,19,30,31,32-pentaazatétracyclo[25.2.1.12,5.16,9]dotriaconta-1(29),2(32),6(31),27(30)-tétraène-10,15,18,21-tétrone [French] [ACD/IUPAC Name]
16,22-Dioxa-3,7,28-trithia-11,19,30,31,32-pentaazatetracyclo[25.2.1.12,5.16,9]dotriaconta-2(32),6(31),27(30),29-tetraene-10,15,18,21-tetrone, 13-hydroxy-23-[(1S,2S,3R)-2-hydroxy-1,3-dimethylhexyl] -20-[(1R)-1-hydroxyethyl]-25-methoxy-5,9,14,24-tetramethyl-12,17-bis[(1S)-1-methylpropyl]-, (5R,9S,12S,13S,14R,20S,23R,24S,25S)- [ACD/Index Name]
HOIAMIDE B

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 247.2±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 949.14
ACD/KOC (pH 5.5): 4702.40
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 950.45
ACD/KOC (pH 7.4): 4708.86
Polar Surface Area: 297 Å2
Polarizability: 98.0±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 707.1±7.0 cm3

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