[(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid

C13H17NO6PS+ — CID 10154700

IUPAC[(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid
SMILESNC[C@H](O)C[P+](=O)O.O=S(=O)(O)c1ccc2ccccc2c1
InChIInChI=1S/C10H8O3S.C3H8NO3P/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;4-1-3(5)2-8(6)7/h1-7H,(H,11,12,13);3,5H,1-2,4H2/p+1/t;3-/m.0/s1
InChIKeyVLYUVGJXKDXAID-HVDRVSQOSA-O
MW346.32 g/mol
LogP1.13
Rot. Bonds4

About [(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid

[(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid (PubChem CID 10154700) has the molecular formula C13H17NO6PS+ and a molecular weight of 346.32 g/mol. Its IUPAC name is [(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name[(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid
PubChem CID10154700
Molecular FormulaC13H17NO6PS+
Molecular Weight346.32 g/mol
Exact Mass346.05
IUPAC Name[(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid
SMILESNC[C@H](O)C[P+](=O)O.O=S(=O)(O)c1ccc2ccccc2c1
InChIInChI=1S/C10H8O3S.C3H8NO3P/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;4-1-3(5)2-8(6)7/h1-7H,(H,11,12,13);3,5H,1-2,4H2/p+1/t;3-/m.0/s1
InChIKeyVLYUVGJXKDXAID-HVDRVSQOSA-O
XLogP1.13
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

naphthalene-2-sulfonic acid
CID 8420
(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol
CID 114243943
CID 88530425
CID 88530425
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 87246277
CID 87246277
Dispersing Agent NNO
CID 156594502
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
tetracene-2-sulfonic acid
CID 21483873
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
anthracene-2,6-disulfonic acid;bis(guanidine)
CID 175713431
2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid
CID 86743112
CID 87753732
CID 87753732

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid?
The IUPAC name of [(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid (CID 10154700) is [(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid.
What is the SMILES notation for [(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid?
The canonical SMILES for [(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid is NC[C@H](O)C[P+](=O)O.O=S(=O)(O)c1ccc2ccccc2c1.
What is the InChIKey of [(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid?
The InChIKey is VLYUVGJXKDXAID-HVDRVSQOSA-O. The full InChI is InChI=1S/C10H8O3S.C3H8NO3P/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;4-1-3(5)2-8(6)7/h1-7H,(H,11,12,13);3,5H,1-2,4H2/p+1/t;3-/m.0/s1.
What are the key properties of [(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid?
[(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid has a molecular weight of 346.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid is sourced from PubChem (CID 10154700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).