hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium

C3H6O3P+ — CID 22807531

IUPAChydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium
SMILESC[C@H]1O[C@H]1[P+](=O)O
InChIInChI=1S/C3H5O3P/c1-2-3(6-2)7(4)5/h2-3H,1H3/p+1/t2-,3+/m1/s1
InChIKeyKJLNTKLDNDCKBS-GBXIJSLDSA-O
MW121.05 g/mol
LogP0.47
Rot. Bonds1

About hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium

hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium (PubChem CID 22807531) has the molecular formula C3H6O3P+ and a molecular weight of 121.05 g/mol. Its IUPAC name is hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium
PubChem CID22807531
Molecular FormulaC3H6O3P+
Molecular Weight121.05 g/mol
Exact Mass121.00
IUPAC Namehydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium
SMILESC[C@H]1O[C@H]1[P+](=O)O
InChIInChI=1S/C3H5O3P/c1-2-3(6-2)7(4)5/h2-3H,1H3/p+1/t2-,3+/m1/s1
InChIKeyKJLNTKLDNDCKBS-GBXIJSLDSA-O
XLogP0.47
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.05
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

bis[(2R,3S)-3-methyloxiran-2-yl]methanone
CID 11804851
2-chloro-3-methyloxirane;methanol
CID 174638567
2,4-dimethyloxetane-3-carboxylic acid
CID 168766151
(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
CID 91529675
(3-methyloxiran-2-yl)phosphonic acid
CID 3417
[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-fluoro-2-methyloxan-3-yl] acetate
CID 124525156
[(2S,3S,4R,5R,6R)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate
CID 23234522
[(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate
CID 23234523
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
Phosphomycin calcium salt
CID 45055415
sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid
CID 175249214
magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane
CID 91617932

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium?
The IUPAC name of hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium (CID 22807531) is hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium.
What is the SMILES notation for hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium?
The canonical SMILES for hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium is C[C@H]1O[C@H]1[P+](=O)O.
What is the InChIKey of hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium?
The InChIKey is KJLNTKLDNDCKBS-GBXIJSLDSA-O. The full InChI is InChI=1S/C3H5O3P/c1-2-3(6-2)7(4)5/h2-3H,1H3/p+1/t2-,3+/m1/s1.
What are the key properties of hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium?
hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium has a molecular weight of 121.05 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2S,3R)-3-methyloxiran-2-yl]-oxophosphanium is sourced from PubChem (CID 22807531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).