1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one

C6H12O5 — CID 174650131

IUPAC1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one
SMILESCC(=O)C(O)OC[C@@H](O)CO
InChIInChI=1S/C6H12O5/c1-4(8)6(10)11-3-5(9)2-7/h5-7,9-10H,2-3H2,1H3/t5-,6?/m0/s1
InChIKeyDZDUJPOMXMJFMA-ZBHICJROSA-N
MW164.16 g/mol
LogP-1.74
Rot. Bonds5

About 1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one

1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one (PubChem CID 174650131) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one.

Molecular Properties

Compound Name1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one
PubChem CID174650131
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one
SMILESCC(=O)C(O)OC[C@@H](O)CO
InChIInChI=1S/C6H12O5/c1-4(8)6(10)11-3-5(9)2-7/h5-7,9-10H,2-3H2,1H3/t5-,6?/m0/s1
InChIKeyDZDUJPOMXMJFMA-ZBHICJROSA-N
XLogP-1.74
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid
CID 87578762
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
2,3-bis(2,3-dihydroxypropoxy)butanedioic acid
CID 174626088
copper;2,3-dihydroxypropyl acetate
CID 175414462
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol
CID 87843229
ethyl 2-(2,3-dihydroxypropoxy)butanoate
CID 174629792
hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol
CID 87631073
3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol
CID 173222430
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020
2,2,2-tris(2,3-dihydroxypropoxy)acetic acid
CID 88705292
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one?
The IUPAC name of 1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one (CID 174650131) is 1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one.
What is the SMILES notation for 1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one?
The canonical SMILES for 1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one is CC(=O)C(O)OC[C@@H](O)CO.
What is the InChIKey of 1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one?
The InChIKey is DZDUJPOMXMJFMA-ZBHICJROSA-N. The full InChI is InChI=1S/C6H12O5/c1-4(8)6(10)11-3-5(9)2-7/h5-7,9-10H,2-3H2,1H3/t5-,6?/m0/s1.
What are the key properties of 1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one?
1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one has a molecular weight of 164.16 g/mol, XLogP of -1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one is sourced from PubChem (CID 174650131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).