2(3H)-Furanone,dihydro-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3S,4S)- supplier

Name
(-)-NORTRACHELOGENIN
EINECS 200-158-5
CAS No. 34444-37-6
Article Data6
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₂₀H₂₂O₇
Boiling Point 609.1 °C at 760 mmHg
Molecular Weight 374.39
Flash Point 217.3 °C
Transport Information
Appearance
Safety 61
Risk Codes 50
Molecular Structure
Hazard Symbols N
Synonyms 2(3H)-Furanone,dihydro-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3S-cis)-;(-)-Nortrachelogenin;(-)-Wikstromol;NSC 271296;Nortrachelogenin;Pinopalustrin;
PSA 105.45000
LogP 1.80430

2(3H)-Furanone,dihydro-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3S,4S)- Specification

This chemical is called 2(3H)-Furanone,dihydro-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3S,4S)-, and its systematic name is (3S,4S)-3-hydroxy-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one. With the molecular formula of C₂₀H₂₂O₇, its molecular weight is 374.38. The CAS registry number of this chemical is 34444-37-6.

Other characteristics of the 2(3H)-Furanone,dihydro-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3S,4S)- can be summarised as followings: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.96; (6)ACD/BCF (pH 7.4): 2.94; (7)ACD/KOC (pH 5.5): 75.64; (8)ACD/KOC (pH 7.4): 75.27; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 72.45 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 97.13 cm³; (15)Molar Volume: 273.1 cm³; (16)Polarizability: 38.5×10^-24cm³; (17)Surface Tension: 64 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 217.3 °C; (20)Enthalpy of Vaporization: 95.15 kJ/mol; (21)Boiling Point: 609.1 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Oc1ccc(cc1OC)C[C@@]3(O)C(=O)OC[C@@H]3Cc2cc(OC)c(O)cc2
2.InChI: InChI=1/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3/t14-,20-/m0/s1
3.InChIKey: ZITBJWXLODLDRH-XOBRGWDABP

Product Name

(-)-NORTRACHELOGENIN

2(3H)-Furanone,dihydro-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3S,4S)- Specification

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