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Technical details about Sucrodet, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Sucrose palmitate (van), Einecs 247-706-7, Nsc 192746, Sucrose palmitate [nf], Unii-3osq643zk5, 3osq643zk5
Molecular Formula
C28H52O12
Molecular Weight
580.7  g/mol
InChI Key
ZPVGIKNDGJGLCO-VGAMQAOUSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hexadecanoate
2.1.2 InChI
InChI=1S/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(32)40-28(26(37)24(35)22(33)19(16-29)39-28)27(18-31)25(36)23(34)20(17-30)38-27/h19-20,22-26,29-31,33-37H,2-18H2,1H3/t19-,20-,22-,23-,24+,25+,26-,27+,28+/m1/s1
2.1.3 InChI Key
ZPVGIKNDGJGLCO-VGAMQAOUSA-N
2.1.4 Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OC1(C(C(C(C(O1)CO)O)O)O)C2(C(C(C(O2)CO)O)O)CO
2.1.5 Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Sucrose Monopalmitate

2.2.2 Depositor-Supplied Synonyms

1. Sucrose Palmitate (van)

2. Einecs 247-706-7

3. Nsc 192746

4. Sucrose Palmitate [nf]

5. Unii-3osq643zk5

6. 3osq643zk5

7. Alpha-d-glucopyranoside, Beta-d-fructofuranosyl, Monohexadecanoate

8. Beta-d-fructofuranosyl-alpha-d-glucopyranoside Monohexadecanoate

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 580.7 g/mol
Molecular Formula C28H52O12
XLogP33.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Exact Mass580.34587709 g/mol
Monoisotopic Mass580.34587709 g/mol
Topological Polar Surface Area207 Ų
Heavy Atom Count40
Formal Charge0
Complexity725
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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