4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one

C7H10O7 — CID 57074263

IUPAC4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one
SMILESO=c1oc(CO)c(OCC(O)CO)o1
InChIInChI=1S/C7H10O7/c8-1-4(10)3-12-6-5(2-9)13-7(11)14-6/h4,8-10H,1-3H2
InChIKeyFLFJXEANKSIHGY-UHFFFAOYSA-N
MW206.15 g/mol
LogP-1.54
Rot. Bonds5

About 4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one

4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one (PubChem CID 57074263) has the molecular formula C7H10O7 and a molecular weight of 206.15 g/mol. Its IUPAC name is 4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one
PubChem CID57074263
Molecular FormulaC7H10O7
Molecular Weight206.15 g/mol
Exact Mass206.04
IUPAC Name4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one
SMILESO=c1oc(CO)c(OCC(O)CO)o1
InChIInChI=1S/C7H10O7/c8-1-4(10)3-12-6-5(2-9)13-7(11)14-6/h4,8-10H,1-3H2
InChIKeyFLFJXEANKSIHGY-UHFFFAOYSA-N
XLogP-1.54
TPSA113.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one (CID 57074263) is 4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one is O=c1oc(CO)c(OCC(O)CO)o1.
What is the InChIKey of 4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one?
The InChIKey is FLFJXEANKSIHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O7/c8-1-4(10)3-12-6-5(2-9)13-7(11)14-6/h4,8-10H,1-3H2.
What are the key properties of 4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one?
4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one has a molecular weight of 206.15 g/mol, XLogP of -1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroxypropoxy)-5-(hydroxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 57074263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).