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Helicianeoide B

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Name

Helicianeoide B

EINECS N/A
CAS No. 496066-89-8 Density 1.838 g/cm3
PSA 328.35000 LogP -3.22380
Solubility N/A Melting Point N/A
Formula C32H38O20 Boiling Point 1099.326 °C at 760 mmHg
Molecular Weight 742.632 Flash Point 348.091 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 496066-89-8 (Helicianeoide B) Hazard Symbols N/A
Synonyms

Helicianeoide B

 

Helicianeoide B Specification

This chemical is called Helicianeoide B. With the molecular formula of C32H38O20, its molecular weight is 742.632. The CAS registry number of this chemical is 496066-89-8. 

Other characteristics of the Helicianeoide B can be summarised as followings: (1)# of Rule of 5 Violations: 3 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1 ; (4)ACD/KOC (pH 5.5): 1.618; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 20; (7)#H bond donors: 12; (8)#Freely Rotating Bonds: 20; (9)Polar Surface Area: 324.44 Å2; (10)Index of Refraction: 1.757; (11)Molar Refractivity: 165.749 cm3; (12)Molar Volume: 403.996 cm3; (13)Polarizability: 65.708×10-24 cm3; (14)Surface Tension: 126.659 dyne/cm; (15)Density: 1.838 g/cm3; (16)Flash Point: 348.091 °C; (17)Enthalpy of Vaporization: 169.18 kJ/mol; (18)Boiling Point: 1099.326 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Oc2c(=O)c3c(cc(cc3oc2c4ccc(c(c4)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O)O)O)O
2.InChI: InChI=1/C32H38O20/c1-9-19(38)24(43)29(52-31-26(45)23(42)21(40)17(50-31)8-47-30-25(44)20(39)15(37)7-46-30)32(48-9)51-28-22(41)18-14(36)5-11(33)6-16(18)49-27(28)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,29-40,42-45H,7-8H2,1H3/t9-,15+,17+,19-,20-,21+,23-,24+,25+,26+,29+,30-,31-,32-/m0/s1
3.InChIKey: GBLIGVGNDPHVIN-LOPYEWRSBI

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