(2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid

C5H10O4 — CID 146029759

IUPAC(2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid
SMILES[2H][C@H](C[C@H](O)CO)C(=O)O
InChIInChI=1S/C5H10O4/c6-3-4(7)1-2-5(8)9/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1/i2D/t2-,4+/m1
InChIKeyXMWHJMODTBOXDX-PZXIQEJHSA-N
MW135.14 g/mol
LogP-0.80
Rot. Bonds4

About (2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid

(2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid (PubChem CID 146029759) has the molecular formula C5H10O4 and a molecular weight of 135.14 g/mol. Its IUPAC name is (2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid.

Molecular Properties

Compound Name(2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid
PubChem CID146029759
Molecular FormulaC5H10O4
Molecular Weight135.14 g/mol
Exact Mass135.06
IUPAC Name(2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid
SMILES[2H][C@H](C[C@H](O)CO)C(=O)O
InChIInChI=1S/C5H10O4/c6-3-4(7)1-2-5(8)9/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1/i2D/t2-,4+/m1
InChIKeyXMWHJMODTBOXDX-PZXIQEJHSA-N
XLogP-0.80
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dihydroxyhexanoic acid
CID 15140307
(5S)-5,6-dihydroxyhexanoic acid
CID 88918822
18,19-dihydroxynonadecanoic acid
CID 87167042
hexane-1,2,6-triol;bis(2-sulfanylacetic acid)
CID 88802722
hexanedioic acid;hexane-1,1,5,6-tetrol
CID 19990329
pentane-1,2-diol;propanoic acid
CID 71342512
2,3-dideuteriobutanedioic acid
CID 11116041
dodecane-1,2,11,12-tetrol
CID 71392430
(2S,7S)-2-amino-7,8-dihydroxyoctanoic acid
CID 177277676
carbonic acid;octane-1,2-diol
CID 87196944
decane-1,2-diol;decanoic acid
CID 174865520
acetic acid;octane-1,2-diol
CID 71443933

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid?
The IUPAC name of (2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid (CID 146029759) is (2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid.
What is the SMILES notation for (2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid?
The canonical SMILES for (2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid is [2H][C@H](C[C@H](O)CO)C(=O)O.
What is the InChIKey of (2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid?
The InChIKey is XMWHJMODTBOXDX-PZXIQEJHSA-N. The full InChI is InChI=1S/C5H10O4/c6-3-4(7)1-2-5(8)9/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1/i2D/t2-,4+/m1.
What are the key properties of (2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid?
(2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid has a molecular weight of 135.14 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid is sourced from PubChem (CID 146029759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).