[(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate

C10H16O7 — CID 175284173

IUPAC[(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](O)[C@@H](CO)OC[C@@H]1OC(C)=O
InChIInChI=1S/C10H16O7/c1-5(12)16-8-4-15-7(3-11)9(14)10(8)17-6(2)13/h7-11,14H,3-4H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyNUCPAVPKMBVNKU-UTINFBMNSA-N
MW248.23 g/mol
LogP-1.40
Rot. Bonds3

About [(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate

[(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate (PubChem CID 175284173) has the molecular formula C10H16O7 and a molecular weight of 248.23 g/mol. Its IUPAC name is [(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
PubChem CID175284173
Molecular FormulaC10H16O7
Molecular Weight248.23 g/mol
Exact Mass248.09
IUPAC Name[(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](O)[C@@H](CO)OC[C@@H]1OC(C)=O
InChIInChI=1S/C10H16O7/c1-5(12)16-8-4-15-7(3-11)9(14)10(8)17-6(2)13/h7-11,14H,3-4H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyNUCPAVPKMBVNKU-UTINFBMNSA-N
XLogP-1.40
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S,4S,5S,6S)-4,5-diacetyloxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 153365112
[5-(hydroxymethyl)-4-methyloxolan-3-yl] acetate
CID 23562379
[(3S,4S,5R,6S)-4,6-diacetyloxy-5-hydroxyoxan-3-yl] acetate
CID 11903840
[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 21336534
[4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate
CID 526631
[(3R,4S,5R,6R)-2,3-diacetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 70122725
[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
CID 70902422
[2-(hydroxymethyl)-4-methyloxolan-3-yl] acetate
CID 23562413
[(3R,4R,5R,6S)-4,5-diacetyloxy-6-propyloxan-3-yl] acetate
CID 173417259
[(3S,4R,5R,6R)-4,5-diacetyloxy-6-(methoxymethyl)oxan-3-yl] acetate
CID 6428058
[(3R,4R,5R,6S)-4,5-diacetyloxy-6-hydroxyoxan-3-yl] acetate
CID 11346418
[(3R,4R,5S,6R)-4,5-diacetyloxy-6-hydroxyoxan-3-yl] acetate
CID 26280917

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate?
The IUPAC name of [(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate (CID 175284173) is [(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate.
What is the SMILES notation for [(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate?
The canonical SMILES for [(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate is CC(=O)O[C@H]1[C@H](O)[C@@H](CO)OC[C@@H]1OC(C)=O.
What is the InChIKey of [(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate?
The InChIKey is NUCPAVPKMBVNKU-UTINFBMNSA-N. The full InChI is InChI=1S/C10H16O7/c1-5(12)16-8-4-15-7(3-11)9(14)10(8)17-6(2)13/h7-11,14H,3-4H2,1-2H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of [(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate?
[(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate has a molecular weight of 248.23 g/mol, XLogP of -1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate is sourced from PubChem (CID 175284173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).