(2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol

C7H15NO4 — CID 46872492

IUPAC(2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol
SMILESC=C[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H15NO4/c1-2-4(8)6(11)7(12)5(10)3-9/h2,4-7,9-12H,1,3,8H2/t4-,5+,6+,7+/m0/s1
InChIKeyTZKPOYYSNNHUBL-BDVNFPICSA-N
MW177.20 g/mol
LogP-2.43
Rot. Bonds5

About (2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol

(2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol (PubChem CID 46872492) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol
PubChem CID46872492
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol
SMILESC=C[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H15NO4/c1-2-4(8)6(11)7(12)5(10)3-9/h2,4-7,9-12H,1,3,8H2/t4-,5+,6+,7+/m0/s1
InChIKeyTZKPOYYSNNHUBL-BDVNFPICSA-N
XLogP-2.43
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal;hydrate
CID 87600410
(2S,3S,4R,5S)-2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride
CID 131851810
(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol
CID 154708941
(2R,3R,5S)-5,7-diamino-1,2,3,6-tetrahydroxynon-8-en-4-one
CID 123284445
(2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol
CID 86740780
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(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
bis((2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal);sulfuric acid
CID 73415774
(2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol
CID 139898597
formic acid;hexane-1,2,3,4,5,6-hexol
CID 139544091
(2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol
CID 134906193

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol?
The IUPAC name of (2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol (CID 46872492) is (2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol?
The canonical SMILES for (2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol is C=C[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol?
The InChIKey is TZKPOYYSNNHUBL-BDVNFPICSA-N. The full InChI is InChI=1S/C7H15NO4/c1-2-4(8)6(11)7(12)5(10)3-9/h2,4-7,9-12H,1,3,8H2/t4-,5+,6+,7+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol?
(2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol has a molecular weight of 177.20 g/mol, XLogP of -2.43, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol is sourced from PubChem (CID 46872492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).