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

C8H15NO6 — CID 87644652

IUPACprop-2-enamide;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
SMILESC=CC(N)=O.O=C[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C5H10O5.C3H5NO/c6-1-3(8)5(10)4(9)2-7;1-2-3(4)5/h1,3-5,7-10H,2H2;2H,1H2,(H2,4,5)/t3-,4-,5+;/m1./s1
InChIKeyLFGLOQMINDSPFV-ZDQHTEEMSA-N
MW221.21 g/mol
LogP-3.08
Rot. Bonds5

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

prop-2-enamide;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal (PubChem CID 87644652) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is prop-2-enamide;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal.

Molecular Properties

Compound Nameprop-2-enamide;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
PubChem CID87644652
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC Nameprop-2-enamide;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
SMILESC=CC(N)=O.O=C[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C5H10O5.C3H5NO/c6-1-3(8)5(10)4(9)2-7;1-2-3(4)5/h1,3-5,7-10H,2H2;2H,1H2,(H2,4,5)/t3-,4-,5+;/m1./s1
InChIKeyLFGLOQMINDSPFV-ZDQHTEEMSA-N
XLogP-3.08
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-3.08
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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Related Compounds

(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;prop-2-enamide
CID 87645224
(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;prop-2-enamide
CID 87644411
(2R,3R,4R)-2,3,4,5-tetrahydroxy(1,2-13C2)pentanal
CID 101262553
(2S,3S,4R)-2,3,4,5-tetrahydroxy(113C)pentanal
CID 131883808
(2R,3R,4R)-2,3,4,5-tetrahydroxy(2,3,4,5-13C4)pentanal
CID 87229143
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87648240
(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 5311110
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 139557023
(2S,3S,4S)-2,3,4,5-tetrahydroxy(1,2,3,4,5-13C5)pentanal
CID 155903800
formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea
CID 175597940
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;bis((2R,3S,4R)-2,3,4,5-tetrahydroxypentanal)
CID 57347809
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567

Frequently Asked Questions

What is the IUPAC name of prop-2-enamide;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The IUPAC name of prop-2-enamide;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal (CID 87644652) is prop-2-enamide;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal.
What is the SMILES notation for prop-2-enamide;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The canonical SMILES for prop-2-enamide;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal is C=CC(N)=O.O=C[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of prop-2-enamide;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The InChIKey is LFGLOQMINDSPFV-ZDQHTEEMSA-N. The full InChI is InChI=1S/C5H10O5.C3H5NO/c6-1-3(8)5(10)4(9)2-7;1-2-3(4)5/h1,3-5,7-10H,2H2;2H,1H2,(H2,4,5)/t3-,4-,5+;/m1./s1.
What are the key properties of prop-2-enamide;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal?
prop-2-enamide;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal has a molecular weight of 221.21 g/mol, XLogP of -3.08, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal is sourced from PubChem (CID 87644652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).