propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate

C11H20O7 — CID 160559346

IUPACpropan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate
SMILESCC(C)OC(=O)CC1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20O7/c1-5(2)17-8(13)3-6-9(14)10(15)7(4-12)18-11(6)16/h5-7,9-12,14-16H,3-4H2,1-2H3/t6?,7-,9-,10-,11?/m1/s1
InChIKeyQZCHNZMKHUNRSQ-OZKCOFLNSA-N
MW264.27 g/mol
LogP-1.62
Rot. Bonds4

About propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate

propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate (PubChem CID 160559346) has the molecular formula C11H20O7 and a molecular weight of 264.27 g/mol. Its IUPAC name is propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate
PubChem CID160559346
Molecular FormulaC11H20O7
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Namepropan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate
SMILESCC(C)OC(=O)CC1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20O7/c1-5(2)17-8(13)3-6-9(14)10(15)7(4-12)18-11(6)16/h5-7,9-12,14-16H,3-4H2,1-2H3/t6?,7-,9-,10-,11?/m1/s1
InChIKeyQZCHNZMKHUNRSQ-OZKCOFLNSA-N
XLogP-1.62
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate with MolForge

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Related Compounds

propan-2-yl 2-(6-ethyl-2,4,5-trihydroxyoxan-3-yl)acetate;propan-2-yl 2-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate
CID 167676397
acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 67893227
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
1-[(3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]propan-2-one
CID 149329186
1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone
CID 25114974
[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 56621960
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate?
The IUPAC name of propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate (CID 160559346) is propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate?
The canonical SMILES for propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate is CC(C)OC(=O)CC1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate?
The InChIKey is QZCHNZMKHUNRSQ-OZKCOFLNSA-N. The full InChI is InChI=1S/C11H20O7/c1-5(2)17-8(13)3-6-9(14)10(15)7(4-12)18-11(6)16/h5-7,9-12,14-16H,3-4H2,1-2H3/t6?,7-,9-,10-,11?/m1/s1.
What are the key properties of propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate?
propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate has a molecular weight of 264.27 g/mol, XLogP of -1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetate is sourced from PubChem (CID 160559346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).