[(3R)-3,4-dihydroxybutyl] hydrogen carbonate

C5H10O5 — CID 89400278

IUPAC[(3R)-3,4-dihydroxybutyl] hydrogen carbonate
SMILESO=C(O)OCC[C@@H](O)CO
InChIInChI=1S/C5H10O5/c6-3-4(7)1-2-10-5(8)9/h4,6-7H,1-3H2,(H,8,9)/t4-/m1/s1
InChIKeyWYVSYOYATPKECW-SCSAIBSYSA-N
MW150.13 g/mol
LogP-0.58
Rot. Bonds4

About [(3R)-3,4-dihydroxybutyl] hydrogen carbonate

[(3R)-3,4-dihydroxybutyl] hydrogen carbonate (PubChem CID 89400278) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is [(3R)-3,4-dihydroxybutyl] hydrogen carbonate.

Molecular Properties

Compound Name[(3R)-3,4-dihydroxybutyl] hydrogen carbonate
PubChem CID89400278
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Name[(3R)-3,4-dihydroxybutyl] hydrogen carbonate
SMILESO=C(O)OCC[C@@H](O)CO
InChIInChI=1S/C5H10O5/c6-3-4(7)1-2-10-5(8)9/h4,6-7H,1-3H2,(H,8,9)/t4-/m1/s1
InChIKeyWYVSYOYATPKECW-SCSAIBSYSA-N
XLogP-0.58
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(3R)-3,4-dihydroxybutyl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[(3S)-3,4-dihydroxybutyl] (E)-but-2-enedioate
CID 175166469
3,3-dihydroxypropyl hydrogen carbonate
CID 123387402
3-(3,4-dihydroxybutoxy)but-3-en-2-one
CID 141499432
(4R)-4,5-dihydroxypentanamide
CID 140573063
3,4-dihydroxybutyl 2,2-bis(hydroxymethyl)butanoate
CID 123772719
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
(2S,7S)-2-amino-7,8-dihydroxyoctanoic acid
CID 177277676
(2R,4S)-2-deuterio-4,5-dihydroxypentanoic acid
CID 146029759
5,6-dihydroxyhexanoic acid
CID 15140307
(5S)-5,6-dihydroxyhexanoic acid
CID 88918822
11-carboxyoxyundecyl hydrogen carbonate
CID 87454351
propane-1,2,3-triol;urea;hydrate
CID 174420698

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-dihydroxybutyl] hydrogen carbonate?
The IUPAC name of [(3R)-3,4-dihydroxybutyl] hydrogen carbonate (CID 89400278) is [(3R)-3,4-dihydroxybutyl] hydrogen carbonate.
What is the SMILES notation for [(3R)-3,4-dihydroxybutyl] hydrogen carbonate?
The canonical SMILES for [(3R)-3,4-dihydroxybutyl] hydrogen carbonate is O=C(O)OCC[C@@H](O)CO.
What is the InChIKey of [(3R)-3,4-dihydroxybutyl] hydrogen carbonate?
The InChIKey is WYVSYOYATPKECW-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10O5/c6-3-4(7)1-2-10-5(8)9/h4,6-7H,1-3H2,(H,8,9)/t4-/m1/s1.
What are the key properties of [(3R)-3,4-dihydroxybutyl] hydrogen carbonate?
[(3R)-3,4-dihydroxybutyl] hydrogen carbonate has a molecular weight of 150.13 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-dihydroxybutyl] hydrogen carbonate is sourced from PubChem (CID 89400278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).