[(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate

C94H178O37P5S5-5 — CID 159425968

IUPAC[(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate
SMILESCC(C)OC[C@@]1(CO)O[C@@H](C)C[C@H]1OP(=O)([O-])SC[C@H]1O[C@@H](C)C[C@H]1OC(C)C.CC(C)OC[C@@]1(O)C[C@@H](C)C[C@H]1OP(=O)([O-])SC[C@H]1O[C@@H](C)C[C@H]1OC(C)C.CC(C)OC[C@H]1C(O)[C@@H](C)C[C@H]1OP(=O)([O-])SC[C@H]1O[C@@H](C)C[C@H]1OC(C)C.CC(C)OC[C@H]1O[C@@H](C)C[C@H]1SP(=O)([O-])OC[C@H]1C(O)[C@@H](C)C[C@H]1OC(C)C.CC(C)OC[C@H]1O[C@@H](C)C[C@H]1SP(=O)([O-])OC[C@H]1O[C@@H](C)C(O)[C@H]1OC(C)C
InChIInChI=1S/C19H37O8PS.3C19H37O7PS.C18H35O8PS/c1-12(2)23-11-19(10-20)18(8-15(6)26-19)27-28(21,22)29-9-17-16(24-13(3)4)7-14(5)25-17;1-12(2)23-11-19(20)9-14(5)7-18(19)26-27(21,22)28-10-17-16(24-13(3)4)8-15(6)25-17;1-11(2)23-10-17-18(8-14(6)26-17)28-27(21,22)24-9-15-16(25-12(3)4)7-13(5)19(15)20;1-11(2)23-9-15-16(7-13(5)19(15)20)26-27(21,22)28-10-18-17(24-12(3)4)8-14(6)25-18;1-10(2)22-8-14-16(7-12(5)25-14)28-27(20,21)23-9-15-18(24-11(3)4)17(19)13(6)26-15/h12-18,20H,7-11H2,1-6H3,(H,21,22);12-18,20H,7-11H2,1-6H3,(H,21,22);2*11-20H,7-10H2,1-6H3,(H,21,22);10-19H,7-9H2,1-6H3,(H,20,21)/p-5/t14-,15-,16+,17+,18+,19+;14-,15-,16+,17+,18+,19-;2*13-,14-,15+,16+,17+,18+,19?;12-,13-,14+,15+,16+,17?,18-/m00000/s1
InChIKeyLQIYPPIXPYBSQJ-ODJBSSGVSA-I
MW2215.63 g/mol
LogP13.73
Rot. Bonds51

About [(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate

[(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate (PubChem CID 159425968) has the molecular formula C94H178O37P5S5-5 and a molecular weight of 2215.63 g/mol. Its IUPAC name is [(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate.

Molecular Properties

Compound Name[(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate
PubChem CID159425968
Molecular FormulaC94H178O37P5S5-5
Molecular Weight2215.63 g/mol
Exact Mass2213.94
IUPAC Name[(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate
SMILESCC(C)OC[C@@]1(CO)O[C@@H](C)C[C@H]1OP(=O)([O-])SC[C@H]1O[C@@H](C)C[C@H]1OC(C)C.CC(C)OC[C@@]1(O)C[C@@H](C)C[C@H]1OP(=O)([O-])SC[C@H]1O[C@@H](C)C[C@H]1OC(C)C.CC(C)OC[C@H]1C(O)[C@@H](C)C[C@H]1OP(=O)([O-])SC[C@H]1O[C@@H](C)C[C@H]1OC(C)C.CC(C)OC[C@H]1O[C@@H](C)C[C@H]1SP(=O)([O-])OC[C@H]1C(O)[C@@H](C)C[C@H]1OC(C)C.CC(C)OC[C@H]1O[C@@H](C)C[C@H]1SP(=O)([O-])OC[C@H]1O[C@@H](C)C(O)[C@H]1OC(C)C
InChIInChI=1S/C19H37O8PS.3C19H37O7PS.C18H35O8PS/c1-12(2)23-11-19(10-20)18(8-15(6)26-19)27-28(21,22)29-9-17-16(24-13(3)4)7-14(5)25-17;1-12(2)23-11-19(20)9-14(5)7-18(19)26-27(21,22)28-10-17-16(24-13(3)4)8-15(6)25-17;1-11(2)23-10-17-18(8-14(6)26-17)28-27(21,22)24-9-15-16(25-12(3)4)7-13(5)19(15)20;1-11(2)23-9-15-16(7-13(5)19(15)20)26-27(21,22)28-10-18-17(24-12(3)4)8-14(6)25-18;1-10(2)22-8-14-16(7-12(5)25-14)28-27(20,21)23-9-15-18(24-11(3)4)17(19)13(6)26-15/h12-18,20H,7-11H2,1-6H3,(H,21,22);12-18,20H,7-11H2,1-6H3,(H,21,22);2*11-20H,7-10H2,1-6H3,(H,21,22);10-19H,7-9H2,1-6H3,(H,20,21)/p-5/t14-,15-,16+,17+,18+,19+;14-,15-,16+,17+,18+,19-;2*13-,14-,15+,16+,17+,18+,19?;12-,13-,14+,15+,16+,17?,18-/m00000/s1
InChIKeyLQIYPPIXPYBSQJ-ODJBSSGVSA-I
XLogP13.73
TPSA504.86 Ų
H-Bond Donors5
H-Bond Acceptors42
Rotatable Bonds51
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002215.63
LogP ≤ 513.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze [(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate?
The IUPAC name of [(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate (CID 159425968) is [(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate.
What is the SMILES notation for [(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate?
The canonical SMILES for [(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate is CC(C)OC[C@@]1(CO)O[C@@H](C)C[C@H]1OP(=O)([O-])SC[C@H]1O[C@@H](C)C[C@H]1OC(C)C.CC(C)OC[C@@]1(O)C[C@@H](C)C[C@H]1OP(=O)([O-])SC[C@H]1O[C@@H](C)C[C@H]1OC(C)C.CC(C)OC[C@H]1C(O)[C@@H](C)C[C@H]1OP(=O)([O-])SC[C@H]1O[C@@H](C)C[C@H]1OC(C)C.CC(C)OC[C@H]1O[C@@H](C)C[C@H]1SP(=O)([O-])OC[C@H]1C(O)[C@@H](C)C[C@H]1OC(C)C.CC(C)OC[C@H]1O[C@@H](C)C[C@H]1SP(=O)([O-])OC[C@H]1O[C@@H](C)C(O)[C@H]1OC(C)C.
What is the InChIKey of [(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate?
The InChIKey is LQIYPPIXPYBSQJ-ODJBSSGVSA-I. The full InChI is InChI=1S/C19H37O8PS.3C19H37O7PS.C18H35O8PS/c1-12(2)23-11-19(10-20)18(8-15(6)26-19)27-28(21,22)29-9-17-16(24-13(3)4)7-14(5)25-17;1-12(2)23-11-19(20)9-14(5)7-18(19)26-27(21,22)28-10-17-16(24-13(3)4)8-15(6)25-17;1-11(2)23-10-17-18(8-14(6)26-17)28-27(21,22)24-9-15-16(25-12(3)4)7-13(5)19(15)20;1-11(2)23-9-15-16(7-13(5)19(15)20)26-27(21,22)28-10-18-17(24-12(3)4)8-14(6)25-18;1-10(2)22-8-14-16(7-12(5)25-14)28-27(20,21)23-9-15-18(24-11(3)4)17(19)13(6)26-15/h12-18,20H,7-11H2,1-6H3,(H,21,22);12-18,20H,7-11H2,1-6H3,(H,21,22);2*11-20H,7-10H2,1-6H3,(H,21,22);10-19H,7-9H2,1-6H3,(H,20,21)/p-5/t14-,15-,16+,17+,18+,19+;14-,15-,16+,17+,18+,19-;2*13-,14-,15+,16+,17+,18+,19?;12-,13-,14+,15+,16+,17?,18-/m00000/s1.
What are the key properties of [(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate?
[(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate has a molecular weight of 2215.63 g/mol, XLogP of 13.73, 51 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(1R,2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate is sourced from PubChem (CID 159425968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).