1,5-bis(oxiran-2-yl)pentane-2,3,4-triol

C9H16O5 — CID 22341984

IUPAC1,5-bis(oxiran-2-yl)pentane-2,3,4-triol
SMILESOC(CC1CO1)C(O)C(O)CC1CO1
InChIInChI=1S/C9H16O5/c10-7(1-5-3-13-5)9(12)8(11)2-6-4-14-6/h5-12H,1-4H2
InChIKeyGDKZTIJXNRGQLT-UHFFFAOYSA-N
MW204.22 g/mol
LogP-1.35
Rot. Bonds6

About 1,5-bis(oxiran-2-yl)pentane-2,3,4-triol

1,5-bis(oxiran-2-yl)pentane-2,3,4-triol (PubChem CID 22341984) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1,5-bis(oxiran-2-yl)pentane-2,3,4-triol.

Molecular Properties

Compound Name1,5-bis(oxiran-2-yl)pentane-2,3,4-triol
PubChem CID22341984
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name1,5-bis(oxiran-2-yl)pentane-2,3,4-triol
SMILESOC(CC1CO1)C(O)C(O)CC1CO1
InChIInChI=1S/C9H16O5/c10-7(1-5-3-13-5)9(12)8(11)2-6-4-14-6/h5-12H,1-4H2
InChIKeyGDKZTIJXNRGQLT-UHFFFAOYSA-N
XLogP-1.35
TPSA85.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(oxiran-2-yl)pentane-2,3,4-triol?
The IUPAC name of 1,5-bis(oxiran-2-yl)pentane-2,3,4-triol (CID 22341984) is 1,5-bis(oxiran-2-yl)pentane-2,3,4-triol.
What is the SMILES notation for 1,5-bis(oxiran-2-yl)pentane-2,3,4-triol?
The canonical SMILES for 1,5-bis(oxiran-2-yl)pentane-2,3,4-triol is OC(CC1CO1)C(O)C(O)CC1CO1.
What is the InChIKey of 1,5-bis(oxiran-2-yl)pentane-2,3,4-triol?
The InChIKey is GDKZTIJXNRGQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c10-7(1-5-3-13-5)9(12)8(11)2-6-4-14-6/h5-12H,1-4H2.
What are the key properties of 1,5-bis(oxiran-2-yl)pentane-2,3,4-triol?
1,5-bis(oxiran-2-yl)pentane-2,3,4-triol has a molecular weight of 204.22 g/mol, XLogP of -1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(oxiran-2-yl)pentane-2,3,4-triol is sourced from PubChem (CID 22341984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).