[(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate

C8H14O6 — CID 91845036

IUPAC[(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](O)[C@@H]([C@@H](C)O)O[C@@H]1O
InChIInChI=1S/C8H14O6/c1-3(9)6-5(11)7(8(12)14-6)13-4(2)10/h3,5-9,11-12H,1-2H3/t3-,5+,6-,7-,8+/m1/s1
InChIKeySIQRBVBKLOEYKF-BIAPBZAGSA-N
MW206.19 g/mol
LogP-1.62
Rot. Bonds2

About [(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate

[(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate (PubChem CID 91845036) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is [(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate
PubChem CID91845036
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name[(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](O)[C@@H]([C@@H](C)O)O[C@@H]1O
InChIInChI=1S/C8H14O6/c1-3(9)6-5(11)7(8(12)14-6)13-4(2)10/h3,5-9,11-12H,1-2H3/t3-,5+,6-,7-,8+/m1/s1
InChIKeySIQRBVBKLOEYKF-BIAPBZAGSA-N
XLogP-1.62
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,6R)-3,5-diacetyloxy-2-(difluoromethyl)-6-hydroxyoxan-4-yl] acetate
CID 174144673
[(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate
CID 164775782
(2R,3S,4S,5R)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 22885266
[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 56621960
(2,3,4,5,6-pentahydroxycyclohexyl) acetate
CID 19814832
actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 58666535
(3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol
CID 130834784
[2-fluoro-2-[(2S,3S,4S,5S)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]ethyl] acetate
CID 155091236
[(3S,4S,6S)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 91104690
[(2S,3S,4S,5R,6R)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 71486314
[(2S,3S,4R,5R)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 10979133
[(3S,6R)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 129095023

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate?
The IUPAC name of [(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate (CID 91845036) is [(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate.
What is the SMILES notation for [(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate?
The canonical SMILES for [(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate is CC(=O)O[C@@H]1[C@@H](O)[C@@H]([C@@H](C)O)O[C@@H]1O.
What is the InChIKey of [(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate?
The InChIKey is SIQRBVBKLOEYKF-BIAPBZAGSA-N. The full InChI is InChI=1S/C8H14O6/c1-3(9)6-5(11)7(8(12)14-6)13-4(2)10/h3,5-9,11-12H,1-2H3/t3-,5+,6-,7-,8+/m1/s1.
What are the key properties of [(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate?
[(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate has a molecular weight of 206.19 g/mol, XLogP of -1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate is sourced from PubChem (CID 91845036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).