(2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol

C18H40NO2P — CID 141222321

IUPAC(2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@H](N)C(O)P
InChIInChI=1S/C18H40NO2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20)17(19)18(21)22/h16-18,20-21H,2-15,19,22H2,1H3/t16-,17+,18?/m1/s1
InChIKeyZDJAXQQOJSTQPI-DVKDBIPTSA-N
MW333.50 g/mol
LogP4.35
Rot. Bonds16

About (2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol

(2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol (PubChem CID 141222321) has the molecular formula C18H40NO2P and a molecular weight of 333.50 g/mol. Its IUPAC name is (2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol
PubChem CID141222321
Molecular FormulaC18H40NO2P
Molecular Weight333.50 g/mol
Exact Mass333.28
IUPAC Name(2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@H](N)C(O)P
InChIInChI=1S/C18H40NO2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20)17(19)18(21)22/h16-18,20-21H,2-15,19,22H2,1H3/t16-,17+,18?/m1/s1
InChIKeyZDJAXQQOJSTQPI-DVKDBIPTSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-aminooctadecane-1,2-diol
CID 54498715
(4S,5S)-4-amino-3-methyltridecan-5-ol
CID 10799444
nonacosane-14,15-diol
CID 91509633
17-aminohexatriacont-27-ene-16,18-diol
CID 123784672
2-aminotetradecan-3-ol
CID 10198494
(2S,3S)-2-aminoundecan-3-ol
CID 132514193
13-aminoheptacosan-12-ol
CID 118194809
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(4S,5S)-4-aminotridecan-5-ol
CID 10584805
(2S)-2-aminopentadecane-1,3-diol
CID 71424335
2-aminopentadecane-1,3-diol
CID 56979816
(2S,3R)-2-aminodocosane-1,3-diol
CID 10247786

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol?
The IUPAC name of (2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol (CID 141222321) is (2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol.
What is the SMILES notation for (2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol?
The canonical SMILES for (2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol is CCCCCCCCCCCCCCC[C@@H](O)[C@H](N)C(O)P.
What is the InChIKey of (2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol?
The InChIKey is ZDJAXQQOJSTQPI-DVKDBIPTSA-N. The full InChI is InChI=1S/C18H40NO2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20)17(19)18(21)22/h16-18,20-21H,2-15,19,22H2,1H3/t16-,17+,18?/m1/s1.
What are the key properties of (2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol?
(2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol has a molecular weight of 333.50 g/mol, XLogP of 4.35, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-1-phosphanyloctadecane-1,3-diol is sourced from PubChem (CID 141222321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).