(2S)-3-(trideuteriomethoxy)propane-1,2-diol

C4H10O3 — CID 164541909

IUPAC(2S)-3-(trideuteriomethoxy)propane-1,2-diol
SMILES[2H]C([2H])([2H])OC[C@@H](O)CO
InChIInChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1/i1D3
InChIKeyPSJBSUHYCGQTHZ-OSIBIXDNSA-N
MW109.14 g/mol
LogP-1.01
Rot. Bonds4

About (2S)-3-(trideuteriomethoxy)propane-1,2-diol

(2S)-3-(trideuteriomethoxy)propane-1,2-diol (PubChem CID 164541909) has the molecular formula C4H10O3 and a molecular weight of 109.14 g/mol. Its IUPAC name is (2S)-3-(trideuteriomethoxy)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(trideuteriomethoxy)propane-1,2-diol
PubChem CID164541909
Molecular FormulaC4H10O3
Molecular Weight109.14 g/mol
Exact Mass109.08
IUPAC Name(2S)-3-(trideuteriomethoxy)propane-1,2-diol
SMILES[2H]C([2H])([2H])OC[C@@H](O)CO
InChIInChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1/i1D3
InChIKeyPSJBSUHYCGQTHZ-OSIBIXDNSA-N
XLogP-1.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.14
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-methoxy-3-(trideuteriomethoxy)propan-2-ol
CID 138753644
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
(2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol
CID 164541980
methane;methoxymethanol;3-methoxypropane-1,2-diol
CID 159796691
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
1-methoxyhexan-2-ol;propane-1,2,3-triol
CID 162066380
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol
CID 22994800
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
2,3-dihydroxypropyl hypochlorite
CID 54142459

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(trideuteriomethoxy)propane-1,2-diol?
The IUPAC name of (2S)-3-(trideuteriomethoxy)propane-1,2-diol (CID 164541909) is (2S)-3-(trideuteriomethoxy)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(trideuteriomethoxy)propane-1,2-diol?
The canonical SMILES for (2S)-3-(trideuteriomethoxy)propane-1,2-diol is [2H]C([2H])([2H])OC[C@@H](O)CO.
What is the InChIKey of (2S)-3-(trideuteriomethoxy)propane-1,2-diol?
The InChIKey is PSJBSUHYCGQTHZ-OSIBIXDNSA-N. The full InChI is InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1/i1D3.
What are the key properties of (2S)-3-(trideuteriomethoxy)propane-1,2-diol?
(2S)-3-(trideuteriomethoxy)propane-1,2-diol has a molecular weight of 109.14 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(trideuteriomethoxy)propane-1,2-diol is sourced from PubChem (CID 164541909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).