methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium

C11H20IO4PV — CID 59036525

IUPACmethyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium
SMILESCOC(=O)[C@@H]1O[C@H](COPI)[C@H](C)[C@H](C)[C@H]1C.[V]
InChIInChI=1S/C11H20IO4P.V/c1-6-7(2)9(5-15-17-12)16-10(8(6)3)11(13)14-4;/h6-10,17H,5H2,1-4H3;/t6-,7+,8+,9+,10+;/m0./s1
InChIKeyWLAUBZHOJPUWMT-MSIKLVLDSA-N
MW425.10 g/mol
LogP2.79
Rot. Bonds4

About methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium

methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium (PubChem CID 59036525) has the molecular formula C11H20IO4PV and a molecular weight of 425.10 g/mol. Its IUPAC name is methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium.

Molecular Properties

Compound Namemethyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium
PubChem CID59036525
Molecular FormulaC11H20IO4PV
Molecular Weight425.10 g/mol
Exact Mass424.96
IUPAC Namemethyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium
SMILESCOC(=O)[C@@H]1O[C@H](COPI)[C@H](C)[C@H](C)[C@H]1C.[V]
InChIInChI=1S/C11H20IO4P.V/c1-6-7(2)9(5-15-17-12)16-10(8(6)3)11(13)14-4;/h6-10,17H,5H2,1-4H3;/t6-,7+,8+,9+,10+;/m0./s1
InChIKeyWLAUBZHOJPUWMT-MSIKLVLDSA-N
XLogP2.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.10
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium with MolForge

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Related Compounds

2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid
CID 129048068
dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate
CID 130308368
methyl (2R,3R)-3-octyloxirane-2-carboxylate
CID 134894079
methyl (4S)-5-acetyloxy-6-hydroxy-3,4-dimethyloxane-2-carboxylate
CID 170206334
methyl (2S,3S,4S,5R)-5-acetyloxy-6-bromo-3,4-dimethyloxane-2-carboxylate
CID 167624729
methyl 3-[[3,5-bis[(3-methoxycarbonyloxiran-2-yl)methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]oxirane-2-carboxylate
CID 59141583
ethyl (2R,3R,4S,5S,6S)-6-(azidomethyl)-3,4,5-trimethyloxane-2-carboxylate
CID 59036533
methyl (3S,4S,6S)-6-[4-[[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]phenoxy]-3,4,5-trimethyloxane-2-carboxylate
CID 159331263
methyl (2R,3S,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-carboxylate
CID 100924446
methyl (2R,3R,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-carboxylate
CID 100924435
methyl (2S,3R)-3-(cyclohexylmethyl)oxirane-2-carboxylate
CID 11095595
methyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate
CID 25139528

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium?
The IUPAC name of methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium (CID 59036525) is methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium.
What is the SMILES notation for methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium?
The canonical SMILES for methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium is COC(=O)[C@@H]1O[C@H](COPI)[C@H](C)[C@H](C)[C@H]1C.[V].
What is the InChIKey of methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium?
The InChIKey is WLAUBZHOJPUWMT-MSIKLVLDSA-N. The full InChI is InChI=1S/C11H20IO4P.V/c1-6-7(2)9(5-15-17-12)16-10(8(6)3)11(13)14-4;/h6-10,17H,5H2,1-4H3;/t6-,7+,8+,9+,10+;/m0./s1.
What are the key properties of methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium?
methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium has a molecular weight of 425.10 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium is sourced from PubChem (CID 59036525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).