(3R)-3-amino-2,3,4,5-tetrahydroxypentanal

C5H11NO5 — CID 175181996

IUPAC(3R)-3-amino-2,3,4,5-tetrahydroxypentanal
SMILESN[C@](O)(C(O)C=O)C(O)CO
InChIInChI=1S/C5H11NO5/c6-5(11,3(9)1-7)4(10)2-8/h1,3-4,8-11H,2,6H2/t3?,4?,5-/m0/s1
InChIKeyFBJZYSHKIJNUSH-YCXLAJEKSA-N
MW165.15 g/mol
LogP-3.45
Rot. Bonds4

About (3R)-3-amino-2,3,4,5-tetrahydroxypentanal

(3R)-3-amino-2,3,4,5-tetrahydroxypentanal (PubChem CID 175181996) has the molecular formula C5H11NO5 and a molecular weight of 165.15 g/mol. Its IUPAC name is (3R)-3-amino-2,3,4,5-tetrahydroxypentanal.

Molecular Properties

Compound Name(3R)-3-amino-2,3,4,5-tetrahydroxypentanal
PubChem CID175181996
Molecular FormulaC5H11NO5
Molecular Weight165.15 g/mol
Exact Mass165.06
IUPAC Name(3R)-3-amino-2,3,4,5-tetrahydroxypentanal
SMILESN[C@](O)(C(O)C=O)C(O)CO
InChIInChI=1S/C5H11NO5/c6-5(11,3(9)1-7)4(10)2-8/h1,3-4,8-11H,2,6H2/t3?,4?,5-/m0/s1
InChIKeyFBJZYSHKIJNUSH-YCXLAJEKSA-N
XLogP-3.45
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-3.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal
CID 169098460
3,3,4,5-tetrahydroxypentanal
CID 142797222
1,1-diphosphorosopropane-1,2,3-triol
CID 19961049
2,3-dihydroxy-3-methylbutanal
CID 71391745
2-aminopropane-1,1,2,3,3-pentol
CID 175213904
[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-3-yl]phosphonic acid
CID 174492611
3,4,5,6-tetrahydroxy-2-sulfanylhexanal
CID 174770930
(2R,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-sulfanylhexanal
CID 141473442
phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal
CID 159198824
(2S)-2-amino-2,3,4,5,6-pentahydroxyhexanal
CID 135374199
2,3,4,5,6-pentahydroxy-2,4-dimethoxyhexanal
CID 174913015
(3R,4S,5R,6R)-2-amino-2,3,4,5,6,7-hexahydroxyheptanal
CID 150619072

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,3,4,5-tetrahydroxypentanal?
The IUPAC name of (3R)-3-amino-2,3,4,5-tetrahydroxypentanal (CID 175181996) is (3R)-3-amino-2,3,4,5-tetrahydroxypentanal.
What is the SMILES notation for (3R)-3-amino-2,3,4,5-tetrahydroxypentanal?
The canonical SMILES for (3R)-3-amino-2,3,4,5-tetrahydroxypentanal is N[C@](O)(C(O)C=O)C(O)CO.
What is the InChIKey of (3R)-3-amino-2,3,4,5-tetrahydroxypentanal?
The InChIKey is FBJZYSHKIJNUSH-YCXLAJEKSA-N. The full InChI is InChI=1S/C5H11NO5/c6-5(11,3(9)1-7)4(10)2-8/h1,3-4,8-11H,2,6H2/t3?,4?,5-/m0/s1.
What are the key properties of (3R)-3-amino-2,3,4,5-tetrahydroxypentanal?
(3R)-3-amino-2,3,4,5-tetrahydroxypentanal has a molecular weight of 165.15 g/mol, XLogP of -3.45, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,3,4,5-tetrahydroxypentanal is sourced from PubChem (CID 175181996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).