(3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol

C9H16O6 — CID 22868383

IUPAC(3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol
SMILESC=CCC1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H16O6/c1-2-3-9(14)8(13)7(12)6(11)5(4-10)15-9/h2,5-8,10-14H,1,3-4H2/t5-,6-,7+,8-,9?/m1/s1
InChIKeyKXTRDSFSQULOOX-LOFWALOHSA-N
MW220.22 g/mol
LogP-2.28
Rot. Bonds3

About (3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol

(3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol (PubChem CID 22868383) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is (3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol
PubChem CID22868383
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name(3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol
SMILESC=CCC1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H16O6/c1-2-3-9(14)8(13)7(12)6(11)5(4-10)15-9/h2,5-8,10-14H,1,3-4H2/t5-,6-,7+,8-,9?/m1/s1
InChIKeyKXTRDSFSQULOOX-LOFWALOHSA-N
XLogP-2.28
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-2.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol (CID 22868383) is (3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol is C=CCC1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol?
The InChIKey is KXTRDSFSQULOOX-LOFWALOHSA-N. The full InChI is InChI=1S/C9H16O6/c1-2-3-9(14)8(13)7(12)6(11)5(4-10)15-9/h2,5-8,10-14H,1,3-4H2/t5-,6-,7+,8-,9?/m1/s1.
What are the key properties of (3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol?
(3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol has a molecular weight of 220.22 g/mol, XLogP of -2.28, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-6-(hydroxymethyl)-2-prop-2-enyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 22868383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).