[(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten

C19H36NO7PW2-2 — CID 59925353

IUPAC[(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten
SMILESCC(C)OC[C@H]1O[C@@H](C)[CH-]C1OP(=O)([O-])OC[C@@H]1C(OC(C)C)C[C@H](C)C1N.[W].[W]
InChIInChI=1S/C19H37NO7P.2W/c1-11(2)23-10-18-17(8-14(6)26-18)27-28(21,22)24-9-15-16(25-12(3)4)7-13(5)19(15)20;;/h8,11-19H,7,9-10,20H2,1-6H3,(H,21,22);;/q-1;;/p-1/t13-,14-,15+,16?,17?,18+,19?;;/m0../s1
InChIKeyCQANARGSFIORNK-GQUHWSTMSA-M
MW789.15 g/mol
LogP2.05
Rot. Bonds10

About [(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten

[(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten (PubChem CID 59925353) has the molecular formula C19H36NO7PW2-2 and a molecular weight of 789.15 g/mol. Its IUPAC name is [(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten.

Molecular Properties

Compound Name[(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten
PubChem CID59925353
Molecular FormulaC19H36NO7PW2-2
Molecular Weight789.15 g/mol
Exact Mass789.13
IUPAC Name[(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten
SMILESCC(C)OC[C@H]1O[C@@H](C)[CH-]C1OP(=O)([O-])OC[C@@H]1C(OC(C)C)C[C@H](C)C1N.[W].[W]
InChIInChI=1S/C19H37NO7P.2W/c1-11(2)23-10-18-17(8-14(6)26-18)27-28(21,22)24-9-15-16(25-12(3)4)7-13(5)19(15)20;;/h8,11-19H,7,9-10,20H2,1-6H3,(H,21,22);;/q-1;;/p-1/t13-,14-,15+,16?,17?,18+,19?;;/m0../s1
InChIKeyCQANARGSFIORNK-GQUHWSTMSA-M
XLogP2.05
TPSA112.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500789.15
LogP ≤ 52.05
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'}

Analyze [(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten with MolForge

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Related Compounds

[(1R,3S,5R)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten
CID 59914594
CID 59991582
CID 59991582
hydroxy-methyl-[[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl]oxy]-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]phosphanium;tungsten
CID 59905603
[[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
CID 22965140
[(1S,3S,5R)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate
CID 59914455
[(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate
CID 59925342
[(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten
CID 59905723
[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate
CID 59991673
(2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-N-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid
CID 22965157
[(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid
CID 59905678
(2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid
CID 22965159
[(2R,3R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate
CID 59914593

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten?
The IUPAC name of [(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten (CID 59925353) is [(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten.
What is the SMILES notation for [(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten?
The canonical SMILES for [(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten is CC(C)OC[C@H]1O[C@@H](C)[CH-]C1OP(=O)([O-])OC[C@@H]1C(OC(C)C)C[C@H](C)C1N.[W].[W].
What is the InChIKey of [(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten?
The InChIKey is CQANARGSFIORNK-GQUHWSTMSA-M. The full InChI is InChI=1S/C19H37NO7P.2W/c1-11(2)23-10-18-17(8-14(6)26-18)27-28(21,22)24-9-15-16(25-12(3)4)7-13(5)19(15)20;;/h8,11-19H,7,9-10,20H2,1-6H3,(H,21,22);;/q-1;;/p-1/t13-,14-,15+,16?,17?,18+,19?;;/m0../s1.
What are the key properties of [(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten?
[(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten has a molecular weight of 789.15 g/mol, XLogP of 2.05, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten is sourced from PubChem (CID 59925353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).