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Chemistry

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Also known as: 9049-76-7, 5-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-5-[3-(2,3-dihydroxy-2-methylpropoxy)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol, Hydroxypropyl starch, 2-hydroxypropyl starch, Hydroxypropylstarch, Dtxsid70907658
Molecular Formula
C31H56O22
Molecular Weight
780.8  g/mol
InChI Key
VYIPQJQYDCRXMM-UHFFFAOYSA-N

Hydroxypropyl Starch Ether
1 2D Structure

Hydroxypropyl Starch Ether

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-5-[3-(2,3-dihydroxy-2-methylpropoxy)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol
2.1.2 InChI
InChI=1S/C31H56O22/c1-11-16(36)17(37)25(14(7-34)48-11)52-29-21(41)19(39)26(15(51-29)8-46-28-20(40)18(38)23(44-3)12(5-32)49-28)53-30-27(47-10-31(2,43)9-35)22(42)24(45-4)13(6-33)50-30/h11-30,32-43H,5-10H2,1-4H3
2.1.3 InChI Key
VYIPQJQYDCRXMM-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)OCC(C)(CO)O)O)O)O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 2-hydroxypropyl Starch

2. 2-hydroxypropyl Starch Ether

3. Aquaphase Ppt

2.2.2 Depositor-Supplied Synonyms

1. 9049-76-7

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

3. Hydroxypropyl Starch

4. 2-hydroxypropyl Starch

5. Hydroxypropylstarch

6. Dtxsid70907658

7. 102511-23-9

8. 2-o-(2,3-dihydroxy-2-methylpropyl)-4-o-methylhexopyranosyl-(1->4)-[4-o-methylhexopyranosyl-(1->6)]hexopyranosyl-(1->5)-2,6-anhydro-1-deoxyheptitol

2.3 Create Date
2008-07-11
3 Chemical and Physical Properties
Molecular Weight 780.8 g/mol
Molecular Formula C31H56O22
XLogP3-8.1
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count22
Rotatable Bond Count16
Exact Mass780.32632341 g/mol
Monoisotopic Mass780.32632341 g/mol
Topological Polar Surface Area335 Ų
Heavy Atom Count53
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count21
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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