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

C18H37NO4 — CID 11142140

IUPAC(Z,2S,3S,4R,5R)-2-aminooctadec-6-ene-1,3,4,5-tetrol
SMILESCCCCCCCCCCC/C=C\[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C18H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(21)18(23)17(22)15(19)14-20/h12-13,15-18,20-23H,2-11,14,19H2,1H3/b13-12-/t15-,16+,17-,18+/m0/s1
InChIKeyBZLQBBKAAPYKOE-JCXWRLLDSA-N
MW331.50 g/mol
LogP1.87
Rot. Bonds15

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

(Z,2S,3S,4R,5R)-2-aminooctadec-6-ene-1,3,4,5-tetrol (PubChem CID 11142140) has the molecular formula C18H37NO4 and a molecular weight of 331.50 g/mol. Its IUPAC name is (Z,2S,3S,4R,5R)-2-aminooctadec-6-ene-1,3,4,5-tetrol.

Molecular Properties

Compound Name(Z,2S,3S,4R,5R)-2-aminooctadec-6-ene-1,3,4,5-tetrol
PubChem CID11142140
Molecular FormulaC18H37NO4
Molecular Weight331.50 g/mol
Exact Mass331.27
IUPAC Name(Z,2S,3S,4R,5R)-2-aminooctadec-6-ene-1,3,4,5-tetrol
SMILESCCCCCCCCCCC/C=C\[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C18H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(21)18(23)17(22)15(19)14-20/h12-13,15-18,20-23H,2-11,14,19H2,1H3/b13-12-/t15-,16+,17-,18+/m0/s1
InChIKeyBZLQBBKAAPYKOE-JCXWRLLDSA-N
XLogP1.87
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 51.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2S,3S,4R,5R)-2-aminooctadec-6-ene-1,3,4,5-tetrol?
The IUPAC name of (Z,2S,3S,4R,5R)-2-aminooctadec-6-ene-1,3,4,5-tetrol (CID 11142140) is (Z,2S,3S,4R,5R)-2-aminooctadec-6-ene-1,3,4,5-tetrol.
What is the SMILES notation for (Z,2S,3S,4R,5R)-2-aminooctadec-6-ene-1,3,4,5-tetrol?
The canonical SMILES for (Z,2S,3S,4R,5R)-2-aminooctadec-6-ene-1,3,4,5-tetrol is CCCCCCCCCCC/C=C\[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](N)CO.
What is the InChIKey of (Z,2S,3S,4R,5R)-2-aminooctadec-6-ene-1,3,4,5-tetrol?
The InChIKey is BZLQBBKAAPYKOE-JCXWRLLDSA-N. The full InChI is InChI=1S/C18H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(21)18(23)17(22)15(19)14-20/h12-13,15-18,20-23H,2-11,14,19H2,1H3/b13-12-/t15-,16+,17-,18+/m0/s1.
What are the key properties of (Z,2S,3S,4R,5R)-2-aminooctadec-6-ene-1,3,4,5-tetrol?
(Z,2S,3S,4R,5R)-2-aminooctadec-6-ene-1,3,4,5-tetrol has a molecular weight of 331.50 g/mol, XLogP of 1.87, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,3S,4R,5R)-2-aminooctadec-6-ene-1,3,4,5-tetrol is sourced from PubChem (CID 11142140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).