(2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol

C5H12O4 — CID 54540788

IUPAC(2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol
SMILES[2H][C@@H](CO)[C@H](O)[C@H](O)CO
InChIInChI=1S/C5H12O4/c6-2-1-4(8)5(9)3-7/h4-9H,1-3H2/t4-,5+/m0/s1/i1D/t1-,4-,5+
InChIKeyZDAWZDFBPUUDAY-ZHLDJJIDSA-N
MW137.15 g/mol
LogP-1.92
Rot. Bonds4

About (2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol

(2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol (PubChem CID 54540788) has the molecular formula C5H12O4 and a molecular weight of 137.15 g/mol. Its IUPAC name is (2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol.

Molecular Properties

Compound Name(2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol
PubChem CID54540788
Molecular FormulaC5H12O4
Molecular Weight137.15 g/mol
Exact Mass137.08
IUPAC Name(2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol
SMILES[2H][C@@H](CO)[C@H](O)[C@H](O)CO
InChIInChI=1S/C5H12O4/c6-2-1-4(8)5(9)3-7/h4-9H,1-3H2/t4-,5+/m0/s1/i1D/t1-,4-,5+
InChIKeyZDAWZDFBPUUDAY-ZHLDJJIDSA-N
XLogP-1.92
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

butane-1,2,3,4-tetrol;phosphorous acid
CID 139511321
(2S,3R)-butane-1,2,3,4-tetrol;propane-1,2,3-triol
CID 87640100
(2R,3R)-4-sulfanyloxybutane-1,2,3-triol
CID 88547398
hexane-1,2,3,6-tetrol
CID 5209802
butane;butane-1,2,3,4-tetrol
CID 155273073
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid
CID 162332492
(2R,3R)-4-aminobutane-1,2,3-triol
CID 25150845
pentane-1,2,3-triol
CID 547785

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol?
The IUPAC name of (2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol (CID 54540788) is (2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol.
What is the SMILES notation for (2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol?
The canonical SMILES for (2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol is [2H][C@@H](CO)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol?
The InChIKey is ZDAWZDFBPUUDAY-ZHLDJJIDSA-N. The full InChI is InChI=1S/C5H12O4/c6-2-1-4(8)5(9)3-7/h4-9H,1-3H2/t4-,5+/m0/s1/i1D/t1-,4-,5+.
What are the key properties of (2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol?
(2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol has a molecular weight of 137.15 g/mol, XLogP of -1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol is sourced from PubChem (CID 54540788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).