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ACTIVE PHARMA INGREDIENTS

8 API Suppliers, 3 USDMF, 4 CEP/COS, 1 Listed Suppliers, $ API Reference Price

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3 USDMF
4 CEP/COS
1 Listed Suppliers
$ API Reference Price

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Synopsis

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$ 9

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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

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 Formula	C₂₇H₄₈O₂₀
Molecular Weight	692.7 g/mol
XLogP3	-7.5
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	12
Exact Mass	692.27389392 g/mol
Monoisotopic Mass	692.27389392 g/mol
Topological Polar Surface Area	306 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	950
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	20
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

API SUPPLIERS

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API Reference Price

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