[(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate

C19H34O10P- — CID 59063471

IUPAC[(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
SMILESCC(C)OC[C@@]1(O)C(O)[C@@H](C)C[C@H]1OP(=O)([O-])OC(=O)[C@H]1O[C@@H](C)C[C@H]1OC(C)C
InChIInChI=1S/C19H35O10P/c1-10(2)25-9-19(22)15(7-12(5)17(19)20)28-30(23,24)29-18(21)16-14(26-11(3)4)8-13(6)27-16/h10-17,20,22H,7-9H2,1-6H3,(H,23,24)/p-1/t12-,13-,14+,15+,16-,17?,19-/m0/s1
InChIKeyKEZFCTHGXLQPOP-SRROXZAASA-M
MW453.45 g/mol
LogP0.91
Rot. Bonds9

About [(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate

[(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate (PubChem CID 59063471) has the molecular formula C19H34O10P- and a molecular weight of 453.45 g/mol. Its IUPAC name is [(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate.

Molecular Properties

Compound Name[(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
PubChem CID59063471
Molecular FormulaC19H34O10P-
Molecular Weight453.45 g/mol
Exact Mass453.19
IUPAC Name[(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
SMILESCC(C)OC[C@@]1(O)C(O)[C@@H](C)C[C@H]1OP(=O)([O-])OC(=O)[C@H]1O[C@@H](C)C[C@H]1OC(C)C
InChIInChI=1S/C19H35O10P/c1-10(2)25-9-19(22)15(7-12(5)17(19)20)28-30(23,24)29-18(21)16-14(26-11(3)4)8-13(6)27-16/h10-17,20,22H,7-9H2,1-6H3,(H,23,24)/p-1/t12-,13-,14+,15+,16-,17?,19-/m0/s1
InChIKeyKEZFCTHGXLQPOP-SRROXZAASA-M
XLogP0.91
TPSA143.81 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate with MolForge

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Related Compounds

[hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
CID 59991591
[(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
CID 59905543
[(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
CID 59991690
[hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
CID 22965107
[[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
CID 22965140
[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] 1-[(2S,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]ethenyl hydrogen phosphate
CID 59991644
[2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate
CID 22965122
[2-(aminomethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] 1-(2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)ethenyl phosphate
CID 22965019
[(2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinic acid
CID 59925385
[(2R,3R,5S)-2-(aminomethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] 1-[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]ethenyl phosphate;[(1R,2S,4R)-2-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] 1-[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]ethenyl phosphate;[(1R,2R,4S)-3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] 1-[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]ethenyl phosphate;[(2R,3R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] 1-[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]ethenyl phosphate
CID 159625389
[(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

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?
The IUPAC name of [(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate (CID 59063471) is [(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate.
What is the SMILES notation for [(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?
The canonical SMILES for [(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate is CC(C)OC[C@@]1(O)C(O)[C@@H](C)C[C@H]1OP(=O)([O-])OC(=O)[C@H]1O[C@@H](C)C[C@H]1OC(C)C.
What is the InChIKey of [(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?
The InChIKey is KEZFCTHGXLQPOP-SRROXZAASA-M. The full InChI is InChI=1S/C19H35O10P/c1-10(2)25-9-19(22)15(7-12(5)17(19)20)28-30(23,24)29-18(21)16-14(26-11(3)4)8-13(6)27-16/h10-17,20,22H,7-9H2,1-6H3,(H,23,24)/p-1/t12-,13-,14+,15+,16-,17?,19-/m0/s1.
What are the key properties of [(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?
[(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate has a molecular weight of 453.45 g/mol, XLogP of 0.91, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate is sourced from PubChem (CID 59063471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).