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188300-19-8

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Basic Information
CAS No.: 188300-19-8
Name: Massoniaside B
Molecular Structure:
Molecular Structure of 188300-19-8 (Massoniaside B)
Formula: C25H32O10
Molecular Weight: 492.5
Synonyms: Massoniaside B;Massonianoside B
Density: 1.407 g/cm3
Boiling Point: 708.938 °C at 760 mmHg
Flash Point: 382.552 °C
PSA: 158.30000
LogP: 0.74160
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Specification

The Massonianoside B has CAS registry number 188300-19-8. This chemical's molecular formula is C25H32O10 and molecular weight is 492.5. What's more, its systematic name is 4-[7-Hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenyl 6-deoxy-β-D-allopyranoside.

Physical properties about the Massonianoside B are: (1)ACD/LogP: -1.10; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 10; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 14; (6)Polar Surface Area: 158.3 Å2; (7)Index of Refraction: 1.63; (8)Molar Refractivity: 124.557 cm3; (9)Molar Volume: 350.086 cm3; (10)Surface Tension: 62.79 dyne/cm; (11)Density: 1.407 g/cm3; (12)Flash Point: 382.552 °C; (13)Enthalpy of Vaporization: 108.865 kJ/mol; (14)Boiling Point: 708.938 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1c(OC)cc(cc1)C3Oc2c(cc(cc2O)CCCO)C3CO)[C@@H]4O[C@@H]([C@@H](O)[C@@H](O)[C@H]4O)C
(2) InChI: InChI=1/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16?,20-,21-,22-,23?,25+/m1/s1
(3) InChIKey: PHHIEOZUONPPQY-CXLZOONVBO