ethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

C8H18N2O6 — CID 159566657

IUPACethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H]/N=C(\C)N
InChIInChI=1S/C6H12O6.C2H6N2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h1,3-6,8-12H,2H2;1H3,(H3,3,4)/t3-,4+,5+,6+;/m0./s1
InChIKeyMHGZHSLJCZAXAA-BTVCFUMJSA-N
MW238.24 g/mol
LogP-3.44
Rot. Bonds5

About ethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

ethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal (PubChem CID 159566657) has the molecular formula C8H18N2O6 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal.

Molecular Properties

Compound Nameethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
PubChem CID159566657
Molecular FormulaC8H18N2O6
Molecular Weight238.24 g/mol
Exact Mass238.12
IUPAC Nameethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H]/N=C(\C)N
InChIInChI=1S/C6H12O6.C2H6N2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h1,3-6,8-12H,2H2;1H3,(H3,3,4)/t3-,4+,5+,6+;/m0./s1
InChIKeyMHGZHSLJCZAXAA-BTVCFUMJSA-N
XLogP-3.44
TPSA168.09 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.24
LogP ≤ 5-3.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
acetic acid;azane;2,3,4,5,6-pentahydroxyhexanal
CID 174736438
acetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 173049059
2,3,4,5,6-pentahydroxyhexanal;thiourea
CID 174550729
2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87645451
methane;(2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal
CID 175873385
2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol
CID 22593493

Frequently Asked Questions

What is the IUPAC name of ethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?
The IUPAC name of ethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal (CID 159566657) is ethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal.
What is the SMILES notation for ethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?
The canonical SMILES for ethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal is O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H]/N=C(\C)N.
What is the InChIKey of ethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?
The InChIKey is MHGZHSLJCZAXAA-BTVCFUMJSA-N. The full InChI is InChI=1S/C6H12O6.C2H6N2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h1,3-6,8-12H,2H2;1H3,(H3,3,4)/t3-,4+,5+,6+;/m0./s1.
What are the key properties of ethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?
ethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal has a molecular weight of 238.24 g/mol, XLogP of -3.44, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal is sourced from PubChem (CID 159566657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).