(octadec-9-enoylamino) dihydrogen phosphate

C18H36NO5P — CID 173324708

IUPAC(octadec-9-enoylamino) dihydrogen phosphate
SMILESCCCCCCCCC=CCCCCCCCC(=O)NOP(=O)(O)O
InChIInChI=1S/C18H36NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19-24-25(21,22)23/h9-10H,2-8,11-17H2,1H3,(H,19,20)(H2,21,22,23)
InChIKeyFNZXHGGZRFHCPN-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.16
Rot. Bonds17

About (octadec-9-enoylamino) dihydrogen phosphate

(octadec-9-enoylamino) dihydrogen phosphate (PubChem CID 173324708) has the molecular formula C18H36NO5P and a molecular weight of 377.46 g/mol. Its IUPAC name is (octadec-9-enoylamino) dihydrogen phosphate.

Molecular Properties

Compound Name(octadec-9-enoylamino) dihydrogen phosphate
PubChem CID173324708
Molecular FormulaC18H36NO5P
Molecular Weight377.46 g/mol
Exact Mass377.23
IUPAC Name(octadec-9-enoylamino) dihydrogen phosphate
SMILESCCCCCCCCC=CCCCCCCCC(=O)NOP(=O)(O)O
InChIInChI=1S/C18H36NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19-24-25(21,22)23/h9-10H,2-8,11-17H2,1H3,(H,19,20)(H2,21,22,23)
InChIKeyFNZXHGGZRFHCPN-UHFFFAOYSA-N
XLogP5.16
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-octadec-9-enehydrazide
CID 6281873
nonadeca-8,12-dienehydrazide
CID 150104072
(octadecanoylamino) (Z)-octadec-9-enoate
CID 88515409
phosphono docos-13-enoate
CID 173153244
neodymium;phosphono (Z)-octadec-9-enoate
CID 175084367
N-methoxyicos-4-enamide
CID 173091875
(Z)-hexadec-9-enoic acid;phosphoric acid
CID 155410980
bis((Z)-octadec-9-enoic acid);phosphoric acid
CID 175722517
di(octadec-9-enoyl)phosphinic acid
CID 173143631
methyl (2S)-2-(octadec-9-enoylamino)-3-phosphonooxypropanoate
CID 91139897
[(2R)-3-amino-2-(octadec-9-enoylamino)propyl] dihydrogen phosphate
CID 90790864
[[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate
CID 10057255

Frequently Asked Questions

What is the IUPAC name of (octadec-9-enoylamino) dihydrogen phosphate?
The IUPAC name of (octadec-9-enoylamino) dihydrogen phosphate (CID 173324708) is (octadec-9-enoylamino) dihydrogen phosphate.
What is the SMILES notation for (octadec-9-enoylamino) dihydrogen phosphate?
The canonical SMILES for (octadec-9-enoylamino) dihydrogen phosphate is CCCCCCCCC=CCCCCCCCC(=O)NOP(=O)(O)O.
What is the InChIKey of (octadec-9-enoylamino) dihydrogen phosphate?
The InChIKey is FNZXHGGZRFHCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19-24-25(21,22)23/h9-10H,2-8,11-17H2,1H3,(H,19,20)(H2,21,22,23).
What are the key properties of (octadec-9-enoylamino) dihydrogen phosphate?
(octadec-9-enoylamino) dihydrogen phosphate has a molecular weight of 377.46 g/mol, XLogP of 5.16, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (octadec-9-enoylamino) dihydrogen phosphate is sourced from PubChem (CID 173324708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).