carbonic acid;(2S)-propane-1,2-diol

C4H10O5 — CID 70700046

IUPACcarbonic acid;(2S)-propane-1,2-diol
SMILESC[C@H](O)CO.O=C(O)O
InChIInChI=1S/C3H8O2.CH2O3/c1-3(5)2-4;2-1(3)4/h3-5H,2H2,1H3;(H2,2,3,4)/t3-;/m0./s1
InChIKeyNPAXBRSUVYCZGM-DFWYDOINSA-N
MW138.12 g/mol
LogP-0.42
Rot. Bonds1

About carbonic acid;(2S)-propane-1,2-diol

carbonic acid;(2S)-propane-1,2-diol (PubChem CID 70700046) has the molecular formula C4H10O5 and a molecular weight of 138.12 g/mol. Its IUPAC name is carbonic acid;(2S)-propane-1,2-diol.

Molecular Properties

Compound Namecarbonic acid;(2S)-propane-1,2-diol
PubChem CID70700046
Molecular FormulaC4H10O5
Molecular Weight138.12 g/mol
Exact Mass138.05
IUPAC Namecarbonic acid;(2S)-propane-1,2-diol
SMILESC[C@H](O)CO.O=C(O)O
InChIInChI=1S/C3H8O2.CH2O3/c1-3(5)2-4;2-1(3)4/h3-5H,2H2,1H3;(H2,2,3,4)/t3-;/m0./s1
InChIKeyNPAXBRSUVYCZGM-DFWYDOINSA-N
XLogP-0.42
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze carbonic acid;(2S)-propane-1,2-diol 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

carbonic acid;ethane-1,2-diol;propane-1,2-diol
CID 175558536
2-hydroxypropanoic acid;propane-1,2-diol
CID 87142668
propane-1,2-diol
CID 23506506
but-2-enedioic acid;propane-1,2-diol
CID 71366935
azane;propane-1,2-diol;propanoic acid
CID 175501884
nitroxyl;propane-1,2-diol
CID 175455323
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
CID 173141679
acetic acid;methanol;methoxymethane;propane-1,2-diol
CID 174829154
2-methylprop-2-enoic acid;hexakis(propane-1,2-diol)
CID 172778352
sodium;propane-1,2-diol;acetate
CID 88844727

Frequently Asked Questions

What is the IUPAC name of carbonic acid;(2S)-propane-1,2-diol?
The IUPAC name of carbonic acid;(2S)-propane-1,2-diol (CID 70700046) is carbonic acid;(2S)-propane-1,2-diol.
What is the SMILES notation for carbonic acid;(2S)-propane-1,2-diol?
The canonical SMILES for carbonic acid;(2S)-propane-1,2-diol is C[C@H](O)CO.O=C(O)O.
What is the InChIKey of carbonic acid;(2S)-propane-1,2-diol?
The InChIKey is NPAXBRSUVYCZGM-DFWYDOINSA-N. The full InChI is InChI=1S/C3H8O2.CH2O3/c1-3(5)2-4;2-1(3)4/h3-5H,2H2,1H3;(H2,2,3,4)/t3-;/m0./s1.
What are the key properties of carbonic acid;(2S)-propane-1,2-diol?
carbonic acid;(2S)-propane-1,2-diol has a molecular weight of 138.12 g/mol, XLogP of -0.42, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;(2S)-propane-1,2-diol is sourced from PubChem (CID 70700046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).