(2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol

C7H13O5P — CID 59042905

IUPAC(2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol
SMILESCPO[C@H]1C2CO[C@@H](O2)[C@@H](O)C1O
InChIInChI=1S/C7H13O5P/c1-13-12-6-3-2-10-7(11-3)5(9)4(6)8/h3-9,13H,2H2,1H3/t3?,4?,5-,6-,7-/m0/s1
InChIKeyRDJKAWFMHPYRBK-HKLOMFLFSA-N
MW208.15 g/mol
LogP-0.93
Rot. Bonds2

About (2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol

(2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol (PubChem CID 59042905) has the molecular formula C7H13O5P and a molecular weight of 208.15 g/mol. Its IUPAC name is (2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol.

Molecular Properties

Compound Name(2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol
PubChem CID59042905
Molecular FormulaC7H13O5P
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name(2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol
SMILESCPO[C@H]1C2CO[C@@H](O2)[C@@H](O)C1O
InChIInChI=1S/C7H13O5P/c1-13-12-6-3-2-10-7(11-3)5(9)4(6)8/h3-9,13H,2H2,1H3/t3?,4?,5-,6-,7-/m0/s1
InChIKeyRDJKAWFMHPYRBK-HKLOMFLFSA-N
XLogP-0.93
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol with MolForge

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Related Compounds

(1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 131176478
(3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl) 4-methylbenzenesulfonate
CID 562827
(2S,3R,4S,5S,6S)-2-[[(1S,2S,3R,4R,5R)-3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 98455119
[(1S,2R,3R,4S,5S)-4-acetyloxy-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 51346406
[(1R,2S,3R,4R,5R)-3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] N-(3,5-dimethylphenyl)carbamate
CID 66762718
(1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 130847537
3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 4867520
(1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 67699212
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(1R,2S,3R,4R,5R)-3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102423090
(2S,4S,5S)-2-[(3S,4R,6S)-6-[(3S,4R,6S)-6-[[(2S,3R,5R)-3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 172641780
(1S,2S,4R,5S,6R)-7,9-dioxa-3-azatricyclo[4.2.1.02,4]nonan-5-ol
CID 55284858
(1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
CID 10465447

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol?
The IUPAC name of (2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol (CID 59042905) is (2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol.
What is the SMILES notation for (2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol?
The canonical SMILES for (2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol is CPO[C@H]1C2CO[C@@H](O2)[C@@H](O)C1O.
What is the InChIKey of (2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol?
The InChIKey is RDJKAWFMHPYRBK-HKLOMFLFSA-N. The full InChI is InChI=1S/C7H13O5P/c1-13-12-6-3-2-10-7(11-3)5(9)4(6)8/h3-9,13H,2H2,1H3/t3?,4?,5-,6-,7-/m0/s1.
What are the key properties of (2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol?
(2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol has a molecular weight of 208.15 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol is sourced from PubChem (CID 59042905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).