(2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol

C9H19NO5 — CID 101232405

IUPAC(2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol
SMILESC=CC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CN
InChIInChI=1S/C9H19NO5/c1-2-3-5(11)7(13)9(15)8(14)6(12)4-10/h2,5-9,11-15H,1,3-4,10H2/t5-,6+,7-,8+,9+/m0/s1
InChIKeyDZHBLHWRENPTOV-KVEIKIFDSA-N
MW221.25 g/mol
LogP-2.67
Rot. Bonds7

About (2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol

(2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol (PubChem CID 101232405) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is (2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol
PubChem CID101232405
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name(2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol
SMILESC=CC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CN
InChIInChI=1S/C9H19NO5/c1-2-3-5(11)7(13)9(15)8(14)6(12)4-10/h2,5-9,11-15H,1,3-4,10H2/t5-,6+,7-,8+,9+/m0/s1
InChIKeyDZHBLHWRENPTOV-KVEIKIFDSA-N
XLogP-2.67
TPSA127.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.25
LogP ≤ 5-2.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol?
The IUPAC name of (2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol (CID 101232405) is (2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol.
What is the SMILES notation for (2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol?
The canonical SMILES for (2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol is C=CC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CN.
What is the InChIKey of (2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol?
The InChIKey is DZHBLHWRENPTOV-KVEIKIFDSA-N. The full InChI is InChI=1S/C9H19NO5/c1-2-3-5(11)7(13)9(15)8(14)6(12)4-10/h2,5-9,11-15H,1,3-4,10H2/t5-,6+,7-,8+,9+/m0/s1.
What are the key properties of (2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol?
(2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol has a molecular weight of 221.25 g/mol, XLogP of -2.67, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol is sourced from PubChem (CID 101232405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).