9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid

C16H34NO6P — CID 91398999

IUPAC9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid
SMILESNP(O)OC(CCCCCCCC(=O)O)C(O)CCCCCCO
InChIInChI=1S/C16H34NO6P/c17-24(22)23-15(14(19)10-6-4-5-9-13-18)11-7-2-1-3-8-12-16(20)21/h14-15,18-19,22H,1-13,17H2,(H,20,21)
InChIKeyIQCGMVQMYWXBMD-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.67
Rot. Bonds17

About 9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid

9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid (PubChem CID 91398999) has the molecular formula C16H34NO6P and a molecular weight of 367.42 g/mol. Its IUPAC name is 9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid.

Molecular Properties

Compound Name9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid
PubChem CID91398999
Molecular FormulaC16H34NO6P
Molecular Weight367.42 g/mol
Exact Mass367.21
IUPAC Name9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid
SMILESNP(O)OC(CCCCCCCC(=O)O)C(O)CCCCCCO
InChIInChI=1S/C16H34NO6P/c17-24(22)23-15(14(19)10-6-4-5-9-13-18)11-7-2-1-3-8-12-16(20)21/h14-15,18-19,22H,1-13,17H2,(H,20,21)
InChIKeyIQCGMVQMYWXBMD-UHFFFAOYSA-N
XLogP2.67
TPSA133.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid
CID 162911871
(9R,10R)-9,10,16-trihydroxyhexadecanoic acid
CID 7060884
(9S,10S)-9,10,16-trihydroxyhexadecanoic acid
CID 7269318
(9S)-9,18-dihydroxyoctadecanoic acid
CID 163000133
7,8-dihydroxyhexadecanedioic acid
CID 14556981
3-(1,6-dihydroxyhexyl)dodecanedioic acid
CID 91441769
6-(6,12-dihydroxydodecanoyloxy)hexanoic acid
CID 87377073
(9S,10S)-9-acetyloxy-10-hydroxyoctadecanoic acid
CID 98092713
10-decoxy-9-hydroxyoctadecanoic acid
CID 150670526
(E)-7,10,18-trihydroxyoctadec-8-enoic acid
CID 146242215
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
38-hydroxyoctatriacontanoic acid
CID 18981443

Frequently Asked Questions

What is the IUPAC name of 9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid?
The IUPAC name of 9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid (CID 91398999) is 9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid.
What is the SMILES notation for 9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid?
The canonical SMILES for 9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid is NP(O)OC(CCCCCCCC(=O)O)C(O)CCCCCCO.
What is the InChIKey of 9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid?
The InChIKey is IQCGMVQMYWXBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34NO6P/c17-24(22)23-15(14(19)10-6-4-5-9-13-18)11-7-2-1-3-8-12-16(20)21/h14-15,18-19,22H,1-13,17H2,(H,20,21).
What are the key properties of 9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid?
9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid has a molecular weight of 367.42 g/mol, XLogP of 2.67, 17 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid is sourced from PubChem (CID 91398999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).