2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol

C7H16O6 — CID 123519552

IUPAC2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol
SMILESCOCC(O)C(O)C(O)(CO)CO
InChIInChI=1S/C7H16O6/c1-13-2-5(10)6(11)7(12,3-8)4-9/h5-6,8-12H,2-4H2,1H3
InChIKeyBDAWGPPZXNQTEN-UHFFFAOYSA-N
MW196.20 g/mol
LogP-2.93
Rot. Bonds6

About 2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol

2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol (PubChem CID 123519552) has the molecular formula C7H16O6 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol
PubChem CID123519552
Molecular FormulaC7H16O6
Molecular Weight196.20 g/mol
Exact Mass196.09
IUPAC Name2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol
SMILESCOCC(O)C(O)C(O)(CO)CO
InChIInChI=1S/C7H16O6/c1-13-2-5(10)6(11)7(12,3-8)4-9/h5-6,8-12H,2-4H2,1H3
InChIKeyBDAWGPPZXNQTEN-UHFFFAOYSA-N
XLogP-2.93
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-2.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol?
The IUPAC name of 2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol (CID 123519552) is 2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol.
What is the SMILES notation for 2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol?
The canonical SMILES for 2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol is COCC(O)C(O)C(O)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol?
The InChIKey is BDAWGPPZXNQTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O6/c1-13-2-5(10)6(11)7(12,3-8)4-9/h5-6,8-12H,2-4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol?
2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol has a molecular weight of 196.20 g/mol, XLogP of -2.93, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol is sourced from PubChem (CID 123519552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).