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Chemistry

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Also known as: 5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol
Molecular Formula
C27H48O20
Molecular Weight
692.7  g/mol
InChI Key
YJISHJVIRFPGGN-UHFFFAOYSA-N

Cornstarch
1 2D Structure

Cornstarch

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol
2.1.2 InChI
InChI=1S/C27H48O20/c1-8-13(31)14(32)23(11(6-30)42-8)46-27-20(38)17(35)24(47-26-19(37)16(34)22(40-3)10(5-29)44-26)12(45-27)7-41-25-18(36)15(33)21(39-2)9(4-28)43-25/h8-38H,4-7H2,1-3H3
2.1.3 InChI Key
YJISHJVIRFPGGN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)O)O)O)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol

2.3 Create Date
2008-07-11
3 Chemical and Physical Properties
Molecular Weight 692.7 g/mol
Molecular Formula C27H48O20
XLogP3-7.5
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count20
Rotatable Bond Count12
Exact Mass692.27389392 g/mol
Monoisotopic Mass692.27389392 g/mol
Topological Polar Surface Area306 Ų
Heavy Atom Count47
Formal Charge0
Complexity950
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count20
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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30-Jun-2021
09-Feb-2023
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