ChemSpider 2D Image | (7R,12S,16R,24R,28R)-2,4,12,19,21-Pentahydroxy-7,16,24,28-tetramethyl-12,13,28,29-tetrahydro-5H,7H,16H,24H-dibenzo[m,w][1,5,10,16,20]pentaoxacyclopentacosine-5,9,14,22,26(8H,11H,17H,25H)-pentone | C32H38O15

(7R,12S,16R,24R,28R)-2,4,12,19,21-Pentahydroxy-7,16,24,28-tetramethyl-12,13,28,29-tetrahydro-5H,7H,16H,24H-dibenzo[m,w][1,5,10,16,20]pentaoxacyclopentacosine-5,9,14,22,26(8H,11H,17H,25H)-pentone

  • Molecular FormulaC32H38O15
  • Average mass662.635 Da
  • Monoisotopic mass662.221069 Da
  • ChemSpider ID144162
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(7R,12S,16R,24R,28R)-2,4,12,19,21-Pentahydroxy-7,16,24,28-tetramethyl-12,13,28,29-tetrahydro-5H,7H,16H,24H-dibenzo[m,w][1,5,10,16,20]pentaoxacyclopentacosin-5,9,14,22,26(8H,11H,17H,25H)-penton [German] [ACD/IUPAC Name]
(7R,12S,16R,24R,28R)-2,4,12,19,21-Pentahydroxy-7,16,24,28-tetramethyl-12,13,28,29-tetrahydro-5H,7H,16H,24H-dibenzo[m,w][1,5,10,16,20]pentaoxacyclopentacosine-5,9,14,22,26(8H,11H,17H,25H)-pentone [ACD/IUPAC Name]
(7R,12S,16R,24R,28R)-2,4,12,19,21-Pentahydroxy-7,16,24,28-tétraméthyl-12,13,28,29-tétrahydro-5H,7H,16H,24H-dibenzo[m,w][1,5,10,16,20]pentaoxacyclopentacosine-5,9,14,22,26(8H,11H,17H,25H)-pentone [French] [ACD/IUPAC Name]
5H,7H,16H,24H-Dibenzo[m,w][1,5,10,16,20]pentaoxacyclopentacosin-5,9,14,22,26(8H,11H,17H,25H)-pentone, 12,13,28,29-tetrahydro-2,4,12,19,21-pentahydroxy-7,16,24,28-tetramethyl-, (7R,12S,16R,24R,28R)- [ACD/Index Name]
(4R,8R,18R,23S,27R)-12,14,23,31,33-Pentahydroxy-4,8,18,27-tetramethyl-3,7,17,21,26-pentaoxatricyclo[27.4.0.010,15]tritriaconta-1(29),10(15),11,13,30,32-hexaene-2,6,16,20,25-pentone
(7R-(7R*,11R*,15R*,23R*,27*))-7,8,11,12,15,16,23,24,27,28-Decahydro-2,4,18,20-tetrahydroxy-11-(hydroxymethyl)-7,15,23,27-tetramethyl-5H,9H,13H,21H,25H-dibenzo(k,u)(1,5,9,15,19)pentaoxacyclotetracosin-5,9,13,21,25-pentone
141731-75-1 [RN]
5H,9H,13H,21H,25H-Dibenzo(k,u)(1,5,9,15,19)pentaoxacyclotetracosin-5,9,13,21,25-pentone, 7,8,11,12,15,16,23,24,27,28-decahydro-2,4,18,20-tetrahydroxy-11-(hydroxymethyl)-7,15,23,27-tetramethyl-, (7R-(7R*,11R*,15R*,23R*,27*))-
BK223-A
BK223-B

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

NG 011 [DBID]
NG 012 [DBID]
NG-011 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1079.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.8±3.0 kJ/mol
Flash Point: 343.4±27.8 °C
Index of Refraction: 1.536
Molar Refractivity: 159.6±0.3 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.61
ACD/KOC (pH 5.5): 463.32
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 8.67
ACD/KOC (pH 7.4): 106.80
Polar Surface Area: 233 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 511.5±3.0 cm3

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