ChemSpider 2D Image | (2R,3S,3'S,3''R,4'R,4''S,4a'S,5S,6b'R,8a'S,11a'R,11b'S,13'S,13a'S,13b'R,14'S,16a'R,17b'S,19a'S,22a'R,22b'R,24a'S)-3,3'',13',13b',22b'-Pentahydroxy-5-(hydroxymethyl)-4',4'',5,5'',5'',11a',13a',14',22a'
-nonamethyl-4,4',4'',4a',5,5',5'',6b',7',8',8a',9',11',11a',11b',12',13',13a',13b',14',16a',17b',18',19',19a',20',22',22a',22b',23'-triacontahydro-3H,3''H,24'H-dispiro[furan-2,15'-furo[3'',2'':3',4']c
yclopenta[1',2':5,6]naphtho[1,2-b]pyrano[3'',4'':2',3']cyclopenta[1',2':5,6]naphtho[1,2-i]phenazine-3',2''-furan]-24'-one | C55H76N2O11

(2R,3S,3'S,3''R,4'R,4''S,4a'S,5S,6b'R,8a'S,11a'R,11b'S,13'S,13a'S,13b'R,14'S,16a'R,17b'S,19a'S,22a'R,22b'R,24a'S)-3,3'',13',13b',22b'-Pentahydroxy-5-(hydroxymethyl)-4',4'',5,5'',5'',11a',13a',14',22a' -nonamethyl-4,4',4'',4a',5,5',5'',6b',7',8',8a',9',11',11a',11b',12',13',13a',13b',14',16a',17b',18',19',19a',20',22',22a',22b',23'-triacontahydro-3H,3''H,24'H-dispiro[furan-2,15'-furo[3'',2'':3',4']c yclopenta[1',2':5,6]naphtho[1,2-b]pyrano[3'',4'':2',3']cyclopenta[1',2':5,6]naphtho[1,2-i]phenazine-3',2''-furan]-24'-one

  • Molecular FormulaC55H76N2O11
  • Average mass941.199 Da
  • Monoisotopic mass940.544922 Da
  • ChemSpider ID58841834
  • defined stereocentres - 22 of 22 defined stereocentres


More details:






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: 1.662
Molar Refractivity: 249.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 4
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 55041.98
ACD/KOC (pH 5.5): 86068.74
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 55096.88
ACD/KOC (pH 7.4): 86154.59
Polar Surface Area: 201 Å2
Polarizability: 98.9±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 674.2±5.0 cm3

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