(2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol

C6H13O5P — CID 23420980

IUPAC(2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol
SMILESCO[P@@]1(=O)O[C@@H](CO)[C@@H](C)[C@@H]1O
InChIInChI=1S/C6H13O5P/c1-4-5(3-7)11-12(9,10-2)6(4)8/h4-8H,3H2,1-2H3/t4-,5+,6-,12-/m1/s1
InChIKeyTXEUFQALBCSLND-DHYPPZMMSA-N
MW196.14 g/mol
LogP0.17
Rot. Bonds2

About (2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol

(2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol (PubChem CID 23420980) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol
PubChem CID23420980
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name(2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol
SMILESCO[P@@]1(=O)O[C@@H](CO)[C@@H](C)[C@@H]1O
InChIInChI=1S/C6H13O5P/c1-4-5(3-7)11-12(9,10-2)6(4)8/h4-8H,3H2,1-2H3/t4-,5+,6-,12-/m1/s1
InChIKeyTXEUFQALBCSLND-DHYPPZMMSA-N
XLogP0.17
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol with MolForge

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Related Compounds

(4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol
CID 90293180
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
CID 90129061
CID 90129061
CID 147807924
CID 147807924
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518
(2S,3R,5S)-6-(hydroxymethyl)-4-methyloxane-2,3,5-triol
CID 148775123
(2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2-oxo-2-phenylmethoxy-1,2λ5-oxaphosphinane-3,4,5-triol
CID 11403936
(4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
CID 90196477
2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol
CID 22983061
(4R,6R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
CID 163424512
ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 144927729

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol (CID 23420980) is (2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol is CO[P@@]1(=O)O[C@@H](CO)[C@@H](C)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol?
The InChIKey is TXEUFQALBCSLND-DHYPPZMMSA-N. The full InChI is InChI=1S/C6H13O5P/c1-4-5(3-7)11-12(9,10-2)6(4)8/h4-8H,3H2,1-2H3/t4-,5+,6-,12-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol?
(2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol has a molecular weight of 196.14 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol is sourced from PubChem (CID 23420980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).