acetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol

C10H18O8 — CID 161167089

IUPACacetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol
SMILESCC(=O)O.CC(=O)O.OC[C@H]1OC(O)C=C[C@@H]1O
InChIInChI=1S/C6H10O4.2C2H4O2/c7-3-5-4(8)1-2-6(9)10-5;2*1-2(3)4/h1-2,4-9H,3H2;2*1H3,(H,3,4)/t4-,5+,6?;;/m0../s1
InChIKeyUQRLQXDOAFSYOM-FSICJSAESA-N
MW266.25 g/mol
LogP-1.21
Rot. Bonds1

About acetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol

acetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol (PubChem CID 161167089) has the molecular formula C10H18O8 and a molecular weight of 266.25 g/mol. Its IUPAC name is acetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol.

Molecular Properties

Compound Nameacetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol
PubChem CID161167089
Molecular FormulaC10H18O8
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Nameacetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol
SMILESCC(=O)O.CC(=O)O.OC[C@H]1OC(O)C=C[C@@H]1O
InChIInChI=1S/C6H10O4.2C2H4O2/c7-3-5-4(8)1-2-6(9)10-5;2*1-2(3)4/h1-2,4-9H,3H2;2*1H3,(H,3,4)/t4-,5+,6?;;/m0../s1
InChIKeyUQRLQXDOAFSYOM-FSICJSAESA-N
XLogP-1.21
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-1.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,3-dideoxy-D-hex-2-enopyranoside
CID 97305
Ethyl 4,6-di-O-acetyl-2,3-dideoxy-alpha-D-erythro-hex-2-enopyranoside
CID 11821262
2H-Pyran-2-methanol, 3-(acetyloxy)-6-ethoxy-3,6-dihydro-, acetate
CID 349896
6-Ethoxy-3,6-dihydro-3-hydroxy-2H-pyran-2-methanol
CID 271273
(2R,3S,6S)-2-(hydroxymethyl)-6-isopentyloxy-3,6-dihydro-2H-pyran-3-ol
CID 54580323
[(2S,3S)-2-[(E,1R,4R,5S,6S)-4,6-diacetyloxy-1,5-dihydroxyhept-2-enyl]-6-oxo-2,3-dihydropyran-3-yl] acetate
CID 162888879
[(2S,3S)-2-[(E,1S,4S,5S,6S)-4,6-diacetyloxy-1,5-dihydroxyhept-2-enyl]-6-oxo-2,3-dihydropyran-3-yl] acetate
CID 162888880
beta-D-Erythro-Hex-2-enopyranoside, methyl 2,3-dideoxy-, diacetate
CID 567640
[(2R,3S)-3-acetyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 12897405
((2R,3S)-3-Acetoxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 101013575
6-hex-5-enoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 388311
2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 360943

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol?
The IUPAC name of acetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol (CID 161167089) is acetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol.
What is the SMILES notation for acetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol?
The canonical SMILES for acetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol is CC(=O)O.CC(=O)O.OC[C@H]1OC(O)C=C[C@@H]1O.
What is the InChIKey of acetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol?
The InChIKey is UQRLQXDOAFSYOM-FSICJSAESA-N. The full InChI is InChI=1S/C6H10O4.2C2H4O2/c7-3-5-4(8)1-2-6(9)10-5;2*1-2(3)4/h1-2,4-9H,3H2;2*1H3,(H,3,4)/t4-,5+,6?;;/m0../s1.
What are the key properties of acetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol?
acetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol has a molecular weight of 266.25 g/mol, XLogP of -1.21, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol is sourced from PubChem (CID 161167089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).