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

C19H35O8PW-2 — CID 59905476

IUPAC[(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S)-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)CC1OP(=O)([O-])OC[C-]1O[C@@H](C)CC1OC(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-LFHAEGEYSA-M
MW606.30 g/mol
LogP2.57
Rot. Bonds10

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

[(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten (PubChem CID 59905476) has the molecular formula C19H35O8PW-2 and a molecular weight of 606.30 g/mol. Its IUPAC name is [(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten.

Molecular Properties

Compound Name[(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten
PubChem CID59905476
Molecular FormulaC19H35O8PW-2
Molecular Weight606.30 g/mol
Exact Mass606.16
IUPAC Name[(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S)-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)CC1OP(=O)([O-])OC[C-]1O[C@@H](C)CC1OC(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-LFHAEGEYSA-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 [(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten?
The IUPAC name of [(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten (CID 59905476) is [(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten.
What is the SMILES notation for [(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten?
The canonical SMILES for [(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S)-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)CC1OP(=O)([O-])OC[C-]1O[C@@H](C)CC1OC(C)C.[W].
What is the InChIKey of [(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten?
The InChIKey is RLANLRJGRJAHQF-LFHAEGEYSA-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 [(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten?
[(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S)-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 [(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten is sourced from PubChem (CID 59905476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).