(1R)-1-deuteriopropane-1,2,3-triol

C3H8O3 — CID 135775433

IUPAC(1R)-1-deuteriopropane-1,2,3-triol
SMILES[2H][C@@H](O)C(O)CO
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1D/t1-,3?/m1/s1
InChIKeyPEDCQBHIVMGVHV-LNKRRZBXSA-N
MW93.10 g/mol
LogP-1.67
Rot. Bonds2

About (1R)-1-deuteriopropane-1,2,3-triol

(1R)-1-deuteriopropane-1,2,3-triol (PubChem CID 135775433) has the molecular formula C3H8O3 and a molecular weight of 93.10 g/mol. Its IUPAC name is (1R)-1-deuteriopropane-1,2,3-triol.

Molecular Properties

Compound Name(1R)-1-deuteriopropane-1,2,3-triol
PubChem CID135775433
Molecular FormulaC3H8O3
Molecular Weight93.10 g/mol
Exact Mass93.05
IUPAC Name(1R)-1-deuteriopropane-1,2,3-triol
SMILES[2H][C@@H](O)C(O)CO
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1D/t1-,3?/m1/s1
InChIKeyPEDCQBHIVMGVHV-LNKRRZBXSA-N
XLogP-1.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.10
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-deuteriopropane-1,2,3-triol?
The IUPAC name of (1R)-1-deuteriopropane-1,2,3-triol (CID 135775433) is (1R)-1-deuteriopropane-1,2,3-triol.
What is the SMILES notation for (1R)-1-deuteriopropane-1,2,3-triol?
The canonical SMILES for (1R)-1-deuteriopropane-1,2,3-triol is [2H][C@@H](O)C(O)CO.
What is the InChIKey of (1R)-1-deuteriopropane-1,2,3-triol?
The InChIKey is PEDCQBHIVMGVHV-LNKRRZBXSA-N. The full InChI is InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1D/t1-,3?/m1/s1.
What are the key properties of (1R)-1-deuteriopropane-1,2,3-triol?
(1R)-1-deuteriopropane-1,2,3-triol has a molecular weight of 93.10 g/mol, XLogP of -1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-deuteriopropane-1,2,3-triol is sourced from PubChem (CID 135775433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).