(2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol

C9H17NO4 — CID 67888141

IUPAC(2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol
SMILESC=CCC1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO4/c1-2-3-5-7(12)9(14)8(13)6(4-11)10-5/h2,5-14H,1,3-4H2/t5?,6-,7-,8-,9-/m1/s1
InChIKeyQALUOQSYKHLKDB-KFUBRKPTSA-N
MW203.24 g/mol
LogP-2.02
Rot. Bonds3

About (2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol

(2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol (PubChem CID 67888141) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol
PubChem CID67888141
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol
SMILESC=CCC1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO4/c1-2-3-5-7(12)9(14)8(13)6(4-11)10-5/h2,5-14H,1,3-4H2/t5?,6-,7-,8-,9-/m1/s1
InChIKeyQALUOQSYKHLKDB-KFUBRKPTSA-N
XLogP-2.02
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol (CID 67888141) is (2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol is C=CCC1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol?
The InChIKey is QALUOQSYKHLKDB-KFUBRKPTSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-3-5-7(12)9(14)8(13)6(4-11)10-5/h2,5-14H,1,3-4H2/t5?,6-,7-,8-,9-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol?
(2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol has a molecular weight of 203.24 g/mol, XLogP of -2.02, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4,5-triol is sourced from PubChem (CID 67888141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).