prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal

C9H17NO6 — CID 87645178

IUPACprop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal
SMILESC=CC(N)=O.C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O
InChIInChI=1S/C6H12O5.C3H5NO/c1-3(8)5(10)6(11)4(9)2-7;1-2-3(4)5/h2-6,8-11H,1H3;2H,1H2,(H2,4,5)/t3-,4+,5+,6-;/m1./s1
InChIKeyVHIGYDOYLJPNNK-OLALXQGDSA-N
MW235.24 g/mol
LogP-2.69
Rot. Bonds5

About prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal

prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal (PubChem CID 87645178) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal.

Molecular Properties

Compound Nameprop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal
PubChem CID87645178
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Nameprop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal
SMILESC=CC(N)=O.C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O
InChIInChI=1S/C6H12O5.C3H5NO/c1-3(8)5(10)6(11)4(9)2-7;1-2-3(4)5/h2-6,8-11H,1H3;2H,1H2,(H2,4,5)/t3-,4+,5+,6-;/m1./s1
InChIKeyVHIGYDOYLJPNNK-OLALXQGDSA-N
XLogP-2.69
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-2.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal?
The IUPAC name of prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal (CID 87645178) is prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal.
What is the SMILES notation for prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal?
The canonical SMILES for prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal is C=CC(N)=O.C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O.
What is the InChIKey of prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal?
The InChIKey is VHIGYDOYLJPNNK-OLALXQGDSA-N. The full InChI is InChI=1S/C6H12O5.C3H5NO/c1-3(8)5(10)6(11)4(9)2-7;1-2-3(4)5/h2-6,8-11H,1H3;2H,1H2,(H2,4,5)/t3-,4+,5+,6-;/m1./s1.
What are the key properties of prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal?
prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal has a molecular weight of 235.24 g/mol, XLogP of -2.69, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal is sourced from PubChem (CID 87645178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).