carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol

C7H16O9 — CID 157221053

IUPACcarbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol
SMILESCC(O)C(=O)O.O=C(O)O.OCC(O)CO
InChIInChI=1S/C3H8O3.C3H6O3.CH2O3/c4-1-3(6)2-5;1-2(4)3(5)6;2-1(3)4/h3-6H,1-2H2;2,4H,1H3,(H,5,6);(H2,2,3,4)
InChIKeyASZMWQQTEOSNDP-UHFFFAOYSA-N
MW244.20 g/mol
LogP-1.99
Rot. Bonds3

About carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol

carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol (PubChem CID 157221053) has the molecular formula C7H16O9 and a molecular weight of 244.20 g/mol. Its IUPAC name is carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol.

Molecular Properties

Compound Namecarbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol
PubChem CID157221053
Molecular FormulaC7H16O9
Molecular Weight244.20 g/mol
Exact Mass244.08
IUPAC Namecarbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol
SMILESCC(O)C(=O)O.O=C(O)O.OCC(O)CO
InChIInChI=1S/C3H8O3.C3H6O3.CH2O3/c4-1-3(6)2-5;1-2(4)3(5)6;2-1(3)4/h3-6H,1-2H2;2,4H,1H3,(H,5,6);(H2,2,3,4)
InChIKeyASZMWQQTEOSNDP-UHFFFAOYSA-N
XLogP-1.99
TPSA175.75 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.20
LogP ≤ 5-1.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol?
The IUPAC name of carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol (CID 157221053) is carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol.
What is the SMILES notation for carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol?
The canonical SMILES for carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol is CC(O)C(=O)O.O=C(O)O.OCC(O)CO.
What is the InChIKey of carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol?
The InChIKey is ASZMWQQTEOSNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.C3H6O3.CH2O3/c4-1-3(6)2-5;1-2(4)3(5)6;2-1(3)4/h3-6H,1-2H2;2,4H,1H3,(H,5,6);(H2,2,3,4).
What are the key properties of carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol?
carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol has a molecular weight of 244.20 g/mol, XLogP of -1.99, 3 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol is sourced from PubChem (CID 157221053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).