(2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol

C5H11NO5 — CID 21159531

IUPAC(2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol
SMILESOC[C@H](O)[C@H](O)[C@@H](O)/C=N/O
InChIInChI=1S/C5H11NO5/c7-2-4(9)5(10)3(8)1-6-11/h1,3-5,7-11H,2H2/b6-1+/t3-,4-,5+/m0/s1
InChIKeyOKDOWAAKOUUJPX-QXFJXBHLSA-N
MW165.14 g/mol
LogP-2.48
Rot. Bonds4

About (2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol

(2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol (PubChem CID 21159531) has the molecular formula C5H11NO5 and a molecular weight of 165.14 g/mol. Its IUPAC name is (2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol
PubChem CID21159531
Molecular FormulaC5H11NO5
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name(2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol
SMILESOC[C@H](O)[C@H](O)[C@@H](O)/C=N/O
InChIInChI=1S/C5H11NO5/c7-2-4(9)5(10)3(8)1-6-11/h1,3-5,7-11H,2H2/b6-1+/t3-,4-,5+/m0/s1
InChIKeyOKDOWAAKOUUJPX-QXFJXBHLSA-N
XLogP-2.48
TPSA113.51 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-2.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine
CID 129434404
(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
2,3,4,5-tetrahydroxypentanethial
CID 18533987
(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
(2R,3R,4R)-2,3,4,5-tetrahydroxy(1,2-13C2)pentanal
CID 101262553
(2R,3S,4R,5S,6E)-6-hydrazinylidenehexane-1,2,3,4,5-pentol;platinum;hydrochloride
CID 88689759
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol?
The IUPAC name of (2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol (CID 21159531) is (2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol.
What is the SMILES notation for (2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol?
The canonical SMILES for (2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol is OC[C@H](O)[C@H](O)[C@@H](O)/C=N/O.
What is the InChIKey of (2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol?
The InChIKey is OKDOWAAKOUUJPX-QXFJXBHLSA-N. The full InChI is InChI=1S/C5H11NO5/c7-2-4(9)5(10)3(8)1-6-11/h1,3-5,7-11H,2H2/b6-1+/t3-,4-,5+/m0/s1.
What are the key properties of (2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol?
(2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol has a molecular weight of 165.14 g/mol, XLogP of -2.48, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol is sourced from PubChem (CID 21159531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).