ChemSpider 2D Image | ritterazine A | C54H76N2O10

ritterazine A

  • Molecular FormulaC54H76N2O10
  • Average mass913.189 Da
  • Monoisotopic mass912.549988 Da
  • ChemSpider ID8593738
  • defined stereocentres - 22 of 22 defined stereocentres


More details:






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

(1''S,2S,2''R,3'S,3a'S,3a''S,4'S,4b''R,5'R,5''S,5'''S,6a'S,6a''R,9a''S,9b''S,12a''R,14a''S,17a''S,17b''S,19''R,19a''R,19b''S)-4',5'',5''',19'',19b''-Pentahydroxy-1'',3',4',5,5,5''',9a'',17a'',19a''-no namethyl-3''',3a',3a'',4,4',4''',4b'',5,5'',5''',6',6'',6''',6a',6a'',7'',9'',9a'',9b'',10'',12a'',13'',14'',14a'',15'',17'',17a'',17b'',18'',19'',19a'',19b''-dotriacontahydro-3H,3'H-trispiro[furan-2, 2'-cyclopenta[b]furan-5',12''-furo[3'',2'':3 [ACD/IUPAC Name]
ritterazine A
Trispiro[furan-2(3H),2'-[2H]cyclopenta[b]furan-5'(3'H),12''(2''H)-furo[3'',2'':3',4']cyclopenta[1',2':5,6]naphth[1,2-b]indeno[4,5-i]phenazine-2'',2'''-[2H]pyran]-11''(1''H)-one, 3''',3'a,3''a,4,4',4'' ',4''b,5,5'',5''',6',6'',6''',6'a,6''a,7'',9'',9''a,9''b,10'',12''a,13'',14'',14''a,15'',17'',17''a,17''b,18'',19'',19''a,19''b-dotriacontahydro-4',5'',5''',19'',19''b-pentahydroxy-1'',3',4',5,5,5''', 9''a,17''a,19''a-nonamethyl-, (1''S,2S,2''R, [ACD/Index Name]
ritterazine D

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: 1.650
Molar Refractivity: 243.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5423.67
ACD/KOC (pH 5.5): 16385.44
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5429.78
ACD/KOC (pH 7.4): 16403.89
Polar Surface Area: 181 Å2
Polarizability: 96.6±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 668.0±5.0 cm3

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