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Chemistry

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Also known as: Q423846, 2-[6-[4,5-bis(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
Molecular Formula
C32H60O19
Molecular Weight
748.8  g/mol
InChI Key
VUKAUDKDFVSVFT-UHFFFAOYSA-N

Hypromellosum
1 2D Structure

Hypromellosum

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[6-[4,5-bis(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
2.1.2 InChI
InChI=1S/C32H60O19/c1-15(34)10-44-14-20-25(27(45-11-16(2)35)29(31(43-8)48-20)46-12-17(3)36)51-32-28(42-7)26(41-6)24(19(49-32)13-39-4)50-30-22(38)21(37)23(40-5)18(9-33)47-30/h15-38H,9-14H2,1-8H3
2.1.3 InChI Key
VUKAUDKDFVSVFT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(COCC1C(C(C(C(O1)OC)OCC(C)O)OCC(C)O)OC2C(C(C(C(O2)COC)OC3C(C(C(C(O3)CO)OC)O)O)OC)OC)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Q423846

2. 2-[6-[4,5-bis(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

2.3 Create Date
2008-07-09
3 Chemical and Physical Properties
Molecular Weight 748.8 g/mol
Molecular Formula C32H60O19
XLogP3-3.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count19
Rotatable Bond Count21
Exact Mass748.37287968 g/mol
Monoisotopic Mass748.37287968 g/mol
Topological Polar Surface Area241 Ų
Heavy Atom Count51
Formal Charge0
Complexity952
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count18
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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