(2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol

C7H13O4P — CID 90957671

IUPAC(2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol
SMILESC[C@H]1OC(=CP)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H13O4P/c1-3-5(8)7(10)6(9)4(2-12)11-3/h2-3,5-10H,12H2,1H3/t3-,5+,6+,7+/m1/s1
InChIKeyAZBMOLXNQDSCFD-DAXDWZTDSA-N
MW192.15 g/mol
LogP-0.80
Rot. Bonds

About (2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol

(2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol (PubChem CID 90957671) has the molecular formula C7H13O4P and a molecular weight of 192.15 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol
PubChem CID90957671
Molecular FormulaC7H13O4P
Molecular Weight192.15 g/mol
Exact Mass192.06
IUPAC Name(2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol
SMILESC[C@H]1OC(=CP)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H13O4P/c1-3-5(8)7(10)6(9)4(2-12)11-3/h2-3,5-10H,12H2,1H3/t3-,5+,6+,7+/m1/s1
InChIKeyAZBMOLXNQDSCFD-DAXDWZTDSA-N
XLogP-0.80
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-Anhydro-1-deoxygluco-hept-1-enitol
CID 188267
2,6-Anhydro-1-deoxygalacto-hept-1-enitol
CID 70004438
2,6-Anhydro-7-deoxy--d-talo-hept-6-enitol
CID 129775385
(3,4,5-Trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite
CID 170785736
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol
CID 13980825
2-Methylideneoxane-3,4,5-triol
CID 18534363
(2R,3S,4S,5S)-2-methyl-6-methylideneoxane-3,4,5-triol
CID 68253538
(3S)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol
CID 68397215
(3R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol
CID 68397219
(3S,4R,5R)-2-methylideneoxane-3,4,5-triol
CID 70005117
(2S)-2-ethyl-3,4-dihydro-2H-pyran-3,4,5-triol
CID 89096890
(3S)-2-methylideneoxane-3,4,5-triol
CID 89113016

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol (CID 90957671) is (2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol is C[C@H]1OC(=CP)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol?
The InChIKey is AZBMOLXNQDSCFD-DAXDWZTDSA-N. The full InChI is InChI=1S/C7H13O4P/c1-3-5(8)7(10)6(9)4(2-12)11-3/h2-3,5-10H,12H2,1H3/t3-,5+,6+,7+/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol?
(2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol has a molecular weight of 192.15 g/mol, XLogP of -0.80, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-methyl-6-(phosphanylmethylidene)oxane-3,4,5-triol is sourced from PubChem (CID 90957671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).