(2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol

C3H8O3 — CID 91199623

IUPAC(2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol
SMILES[2H][13C@H](O)[13C@@]([2H])(O)C([2H])([2H])O
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1D2,2+1D,3+1D/t2-,3-/m0/s1
InChIKeyPEDCQBHIVMGVHV-ZSYMTFHYSA-N
MW98.10 g/mol
LogP-1.67
Rot. Bonds2

About (2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol

(2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol (PubChem CID 91199623) has the molecular formula C3H8O3 and a molecular weight of 98.10 g/mol. Its IUPAC name is (2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol.

Molecular Properties

Compound Name(2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol
PubChem CID91199623
Molecular FormulaC3H8O3
Molecular Weight98.10 g/mol
Exact Mass98.08
IUPAC Name(2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol
SMILES[2H][13C@H](O)[13C@@]([2H])(O)C([2H])([2H])O
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1D2,2+1D,3+1D/t2-,3-/m0/s1
InChIKeyPEDCQBHIVMGVHV-ZSYMTFHYSA-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 ≤ 50098.10
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,2,3,3,3-hexadeuteriopropane-1,2-diol
CID 71309005
(1R)-1-deuteriopropane-1,2,3-triol
CID 135775433
(2S)-1,1-dideuterio(2,3-13C2)propane-1,2,3-triol;(2R)-1,1-dideuterio(2,3-13C2)propane-1,2,3-triol;methane;sulfane
CID 160698889
(2S)-1,1-dideuterio(213C)propane-1,2,3-triol;(2R)-1,1-dideuterio(213C)propane-1,2,3-triol;methane;sulfane
CID 160698888
2-bromo-1,1,3,3-tetradeuteriopropane-1,3-diol
CID 71314276
(3S,4R,5R)-1,1,3,4,5,6,6-heptadeuterio-1,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-2-one
CID 165412964
2-deuterio-2-(hydroxymethyl)propane-1,3-diol
CID 175908369
(2S)-2-amino-1,1,2,3,3,4,4,4-octadeuteriobutan-1-ol
CID 172990148
(2R,3R,4R,5S)-5-deuterio-2,3,4,5-tetrahydroxypentanal
CID 172794038
(2S,3R)-4,4-dideuterio-2-methylpentane-1,2,3-triol
CID 11007962
1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol
CID 171700736
(2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol
CID 54540788

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol?
The IUPAC name of (2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol (CID 91199623) is (2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol.
What is the SMILES notation for (2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol?
The canonical SMILES for (2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol is [2H][13C@H](O)[13C@@]([2H])(O)C([2H])([2H])O.
What is the InChIKey of (2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol?
The InChIKey is PEDCQBHIVMGVHV-ZSYMTFHYSA-N. The full InChI is InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1D2,2+1D,3+1D/t2-,3-/m0/s1.
What are the key properties of (2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol?
(2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol has a molecular weight of 98.10 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 (2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol is sourced from PubChem (CID 91199623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).