Chemical Properties of Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5«alpha»,5a«beta»,8a«alpha»)]- (CAS 19186-35-7)

InChI

InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3

InChI Key

ZGLXUQQMLLIKAN-UHFFFAOYSA-N

Formula

C22H22O7

SMILES

COc1cc(C2c3cc4c(cc3CC3COC(=O)C32)OCO4)cc(OC)c1OC

Molecular Weight¹

398.41

CAS

19186-35-7

Other Names

• Podophyllotoxin, deoxy-
• Anthricin
• Deoxypodophyllotoxin
• Desoxypodophyllotoxin
• Hernandion
• Silicicolin
• Hernandin
• 5-(3,4,5-Trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one-, (5R,5aR,8aR)-
• (-)-Anthricin
• (-)-Deoxypodophyllotoxin
• (-)-Desoxypodophyllotoxin
• 4-Deoxypodophyllotoxin
• AS 2-3
• Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR)-
• (5R,5aR,8aR)-5-(3,4,5-Trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[932.63; 999.85]	J/mol×K	[981.53; 1219.17]
Cp,gas	932.63	J/mol×K	981.53	Joback Calculated Property
Cp,gas	946.25	J/mol×K	1021.14	Joback Calculated Property
Cp,gas	958.78	J/mol×K	1060.74	Joback Calculated Property
Cp,gas	970.32	J/mol×K	1100.35	Joback Calculated Property
Cp,gas	980.95	J/mol×K	1139.96	Joback Calculated Property
Cp,gas	990.76	J/mol×K	1179.57	Joback Calculated Property
Cp,gas	999.85	J/mol×K	1219.17	Joback Calculated Property
η	[0.0009736; 0.0019620]	Pa×s	[685.16; 981.53]
η	0.0019620	Pa×s	685.16	Joback Calculated Property
η	0.0016785	Pa×s	734.56	Joback Calculated Property
η	0.0014645	Pa×s	783.95	Joback Calculated Property
η	0.0012986	Pa×s	833.35	Joback Calculated Property
η	0.0011671	Pa×s	882.74	Joback Calculated Property
η	0.0010609	Pa×s	932.13	Joback Calculated Property
η	0.0009736	Pa×s	981.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5«alpha»,5a«beta»,8a«alpha»)]-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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