[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten

C19H35O8PW-2 — CID 59914564

IUPAC[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten
SMILESCC(C)OC[C@@]1(O)C[C@@H](C)C[C@H]1OP(=O)([O-])OC[C-]1O[C@@H](C)C[C@H]1OC(C)C.[W]
InChIInChI=1S/C19H36O8P.W/c1-12(2)23-11-19(20)9-14(5)7-18(19)27-28(21,22)24-10-17-16(25-13(3)4)8-15(6)26-17;/h12-16,18,20H,7-11H2,1-6H3,(H,21,22);/q-1;/p-1/t14-,15-,16+,18+,19-;/m0./s1
InChIKeyRLANLRJGRJAHQF-MKKTWNENSA-M
MW606.30 g/mol
LogP2.57
Rot. Bonds10

About [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten

[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten (PubChem CID 59914564) has the molecular formula C19H35O8PW-2 and a molecular weight of 606.30 g/mol. Its IUPAC name is [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten.

Molecular Properties

Compound Name[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten
PubChem CID59914564
Molecular FormulaC19H35O8PW-2
Molecular Weight606.30 g/mol
Exact Mass606.16
IUPAC Name[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten
SMILESCC(C)OC[C@@]1(O)C[C@@H](C)C[C@H]1OP(=O)([O-])OC[C-]1O[C@@H](C)C[C@H]1OC(C)C.[W]
InChIInChI=1S/C19H36O8P.W/c1-12(2)23-11-19(20)9-14(5)7-18(19)27-28(21,22)24-10-17-16(25-13(3)4)8-15(6)26-17;/h12-16,18,20H,7-11H2,1-6H3,(H,21,22);/q-1;/p-1/t14-,15-,16+,18+,19-;/m0./s1
InChIKeyRLANLRJGRJAHQF-MKKTWNENSA-M
XLogP2.57
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten?
The IUPAC name of [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten (CID 59914564) is [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten.
What is the SMILES notation for [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten?
The canonical SMILES for [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten is CC(C)OC[C@@]1(O)C[C@@H](C)C[C@H]1OP(=O)([O-])OC[C-]1O[C@@H](C)C[C@H]1OC(C)C.[W].
What is the InChIKey of [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten?
The InChIKey is RLANLRJGRJAHQF-MKKTWNENSA-M. The full InChI is InChI=1S/C19H36O8P.W/c1-12(2)23-11-19(20)9-14(5)7-18(19)27-28(21,22)24-10-17-16(25-13(3)4)8-15(6)26-17;/h12-16,18,20H,7-11H2,1-6H3,(H,21,22);/q-1;/p-1/t14-,15-,16+,18+,19-;/m0./s1.
What are the key properties of [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten?
[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten has a molecular weight of 606.30 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,4R)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten is sourced from PubChem (CID 59914564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).