[(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium

C15H32O7PS+ — CID 59910181

IUPAC[(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium
SMILESCCCCCCCCCC(=O)O[C@H](CS)CO[P+](O)(O)OCCO
InChIInChI=1S/C15H31O7PS/c1-2-3-4-5-6-7-8-9-15(17)22-14(13-24)12-21-23(18,19)20-11-10-16/h14,16,18-19H,2-13H2,1H3/p+1/t14-/m0/s1
InChIKeyRCBGLYSFYDNEHS-AWEZNQCLSA-O
MW387.46 g/mol
LogP2.66
Rot. Bonds16

About [(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium

[(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium (PubChem CID 59910181) has the molecular formula C15H32O7PS+ and a molecular weight of 387.46 g/mol. Its IUPAC name is [(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium.

Molecular Properties

Compound Name[(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium
PubChem CID59910181
Molecular FormulaC15H32O7PS+
Molecular Weight387.46 g/mol
Exact Mass387.16
IUPAC Name[(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium
SMILESCCCCCCCCCC(=O)O[C@H](CS)CO[P+](O)(O)OCCO
InChIInChI=1S/C15H31O7PS/c1-2-3-4-5-6-7-8-9-15(17)22-14(13-24)12-21-23(18,19)20-11-10-16/h14,16,18-19H,2-13H2,1H3/p+1/t14-/m0/s1
InChIKeyRCBGLYSFYDNEHS-AWEZNQCLSA-O
XLogP2.66
TPSA105.45 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-hexadecanoyloxy-3-sulfanylpropyl] hexadecanoate
CID 102060620
1-(2-hydroxyethoxy)hexan-2-yl hexadecanoate
CID 23498296
[2-[(Z)-octadec-9-enoyl]oxy-3-sulfanylpropyl] (Z)-octadec-9-enoate
CID 20839408
[(2S)-2-amino-2-carboxyethoxy]-[(2R)-2,3-di(octanoyloxy)propoxy]-dihydroxyphosphanium
CID 78225766
(2-acetyloxy-3-sulfanylpropyl) octadecanoate
CID 10982623
1,3-di(pentadecoxy)propan-2-yl hexadecanoate
CID 22082424
1,3-di(henicosoxy)propan-2-yl docosanoate
CID 22082416
(1-dodecoxy-3-hydroxypropan-2-yl) tetradecanoate
CID 10367472
(1-dodecoxy-3-hydroxypropan-2-yl) decanoate
CID 86209450
(2-hexadecanoyloxy-4-hydroxybutyl) hexadecanoate
CID 134931177
(1-dodecoxy-3-hydroxypropan-2-yl) dodecanoate
CID 11102286
[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate
CID 59520968

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium?
The IUPAC name of [(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium (CID 59910181) is [(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium.
What is the SMILES notation for [(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium?
The canonical SMILES for [(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium is CCCCCCCCCC(=O)O[C@H](CS)CO[P+](O)(O)OCCO.
What is the InChIKey of [(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium?
The InChIKey is RCBGLYSFYDNEHS-AWEZNQCLSA-O. The full InChI is InChI=1S/C15H31O7PS/c1-2-3-4-5-6-7-8-9-15(17)22-14(13-24)12-21-23(18,19)20-11-10-16/h14,16,18-19H,2-13H2,1H3/p+1/t14-/m0/s1.
What are the key properties of [(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium?
[(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium has a molecular weight of 387.46 g/mol, XLogP of 2.66, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-decanoyloxy-3-sulfanylpropoxy]-dihydroxy-(2-hydroxyethoxy)phosphanium is sourced from PubChem (CID 59910181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).