acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol

C7H17NO6 — CID 46915821

IUPACacetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol
SMILESCC(=O)O.NC[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C5H13NO4.C2H4O2/c6-1-3(8)5(10)4(9)2-7;1-2(3)4/h3-5,7-10H,1-2,6H2;1H3,(H,3,4)/t3-,4-,5+;/m1./s1
InChIKeyATALRNUSUFMNMX-ZDQHTEEMSA-N
MW211.21 g/mol
LogP-2.89
Rot. Bonds4

About acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol

acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol (PubChem CID 46915821) has the molecular formula C7H17NO6 and a molecular weight of 211.21 g/mol. Its IUPAC name is acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol.

Molecular Properties

Compound Nameacetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol
PubChem CID46915821
Molecular FormulaC7H17NO6
Molecular Weight211.21 g/mol
Exact Mass211.11
IUPAC Nameacetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol
SMILESCC(=O)O.NC[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C5H13NO4.C2H4O2/c6-1-3(8)5(10)4(9)2-7;1-2(3)4/h3-5,7-10H,1-2,6H2;1H3,(H,3,4)/t3-,4-,5+;/m1./s1
InChIKeyATALRNUSUFMNMX-ZDQHTEEMSA-N
XLogP-2.89
TPSA144.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500211.21
LogP ≤ 5-2.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
(2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol
CID 22863347
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 87972607
6-aminohexane-1,2,3,4,5-pentol;(2E,4E)-hexa-2,4-dienoic acid
CID 175332080
magnesium;(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;hydride
CID 173212793
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;phosphoric acid
CID 87218150
acetic acid;3-aminopropane-1,2-diol
CID 158327345
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
2-aminopropanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174331247
(2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol
CID 155375199
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

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol?
The IUPAC name of acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol (CID 46915821) is acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol.
What is the SMILES notation for acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol?
The canonical SMILES for acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol is CC(=O)O.NC[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol?
The InChIKey is ATALRNUSUFMNMX-ZDQHTEEMSA-N. The full InChI is InChI=1S/C5H13NO4.C2H4O2/c6-1-3(8)5(10)4(9)2-7;1-2(3)4/h3-5,7-10H,1-2,6H2;1H3,(H,3,4)/t3-,4-,5+;/m1./s1.
What are the key properties of acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol?
acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol has a molecular weight of 211.21 g/mol, XLogP of -2.89, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol is sourced from PubChem (CID 46915821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).