2-deuterio-2-(hydroxymethyl)propane-1,3-diol

C4H10O3 — CID 175908369

IUPAC2-deuterio-2-(hydroxymethyl)propane-1,3-diol
SMILES[2H]C(CO)(CO)CO
InChIInChI=1S/C4H10O3/c5-1-4(2-6)3-7/h4-7H,1-3H2/i4D
InChIKeySFRDXVJWXWOTEW-QYKNYGDISA-N
MW107.13 g/mol
LogP-1.42
Rot. Bonds3

About 2-deuterio-2-(hydroxymethyl)propane-1,3-diol

2-deuterio-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 175908369) has the molecular formula C4H10O3 and a molecular weight of 107.13 g/mol. Its IUPAC name is 2-deuterio-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-deuterio-2-(hydroxymethyl)propane-1,3-diol
PubChem CID175908369
Molecular FormulaC4H10O3
Molecular Weight107.13 g/mol
Exact Mass107.07
IUPAC Name2-deuterio-2-(hydroxymethyl)propane-1,3-diol
SMILES[2H]C(CO)(CO)CO
InChIInChI=1S/C4H10O3/c5-1-4(2-6)3-7/h4-7H,1-3H2/i4D
InChIKeySFRDXVJWXWOTEW-QYKNYGDISA-N
XLogP-1.42
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-trimethylsilylethane-1,2-diol
CID 130736829
2,3,3,3-tetradeuterio-2-methylpropan-1-ol
CID 161454304
2,2-bis(dibromomethyl)propane-1,3-diol
CID 139758036
(1R)-1-deuteriopropane-1,2,3-triol
CID 135775433
(2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol
CID 91199623
dodecane-1,2,11,12-tetrol
CID 71392430
3-aminopropane-1,2-diol;hydrate
CID 173080490
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
2,3-diiodobutane-1,4-diol
CID 134177181
lanthanum;tris(2-methylpropan-1-ol)
CID 140708551
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
CID 131872176
CID 131872176

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-deuterio-2-(hydroxymethyl)propane-1,3-diol (CID 175908369) is 2-deuterio-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-deuterio-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-deuterio-2-(hydroxymethyl)propane-1,3-diol is [2H]C(CO)(CO)CO.
What is the InChIKey of 2-deuterio-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is SFRDXVJWXWOTEW-QYKNYGDISA-N. The full InChI is InChI=1S/C4H10O3/c5-1-4(2-6)3-7/h4-7H,1-3H2/i4D.
What are the key properties of 2-deuterio-2-(hydroxymethyl)propane-1,3-diol?
2-deuterio-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 107.13 g/mol, XLogP of -1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 175908369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).