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

C95H180O38P5S5-5 — CID 159686091

IUPAC[(1R,2R,4S)-3-(hydroxymethyl)-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(2R,3R,5S)-4-(hydroxymethyl)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate;[(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;[(2R,3R,5S)-2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate
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)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]1C(CO)[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(CO)[C@H]1OC(C)C
InChIInChI=1S/C20H39O7PS.2C19H37O8PS.C19H37O7PS.C18H35O8PS/c1-12(2)24-10-17-16(9-21)14(5)7-18(17)27-28(22,23)29-11-20-19(25-13(3)4)8-15(6)26-20;1-12(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;1-11(2)23-9-16-18(7-13(5)26-16)29-28(21,22)24-10-17-19(25-12(3)4)15(8-20)14(6)27-17;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)22-10-18(19)17(8-14(6)25-18)26-27(20,21)28-9-16-15(23-12(3)4)7-13(5)24-16/h12-21H,7-11H2,1-6H3,(H,22,23);12-18,20H,7-11H2,1-6H3,(H,21,22);11-20H,7-10H2,1-6H3,(H,21,22);11-20H,7-10H2,1-6H3,(H,21,22);11-17,19H,7-10H2,1-6H3,(H,20,21)/p-5/t14-,15-,16?,17-,18+,19+,20+;14-,15-,16+,17+,18+,19+;13-,14-,15?,16+,17+,18+,19+;13-,14-,15+,16+,17+,18+,19?;13-,14-,15+,16+,17+,18+/m00000/s1
InChIKeyMVUXRVKXDWOAJB-UCLCTSFYSA-I
MW2245.65 g/mol
LogP13.56
Rot. Bonds53

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

[(1R,2R,4S)-3-(hydroxymethyl)-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(2R,3R,5S)-4-(hydroxymethyl)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate;[(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;[(2R,3R,5S)-2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate (PubChem CID 159686091) has the molecular formula C95H180O38P5S5-5 and a molecular weight of 2245.65 g/mol. Its IUPAC name is [(1R,2R,4S)-3-(hydroxymethyl)-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(2R,3R,5S)-4-(hydroxymethyl)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate;[(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;[(2R,3R,5S)-2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate.

Molecular Properties

Compound Name[(1R,2R,4S)-3-(hydroxymethyl)-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(2R,3R,5S)-4-(hydroxymethyl)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate;[(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;[(2R,3R,5S)-2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate
PubChem CID159686091
Molecular FormulaC95H180O38P5S5-5
Molecular Weight2245.65 g/mol
Exact Mass2243.95
IUPAC Name[(1R,2R,4S)-3-(hydroxymethyl)-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(2R,3R,5S)-4-(hydroxymethyl)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate;[(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;[(2R,3R,5S)-2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate
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)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]1C(CO)[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(CO)[C@H]1OC(C)C
InChIInChI=1S/C20H39O7PS.2C19H37O8PS.C19H37O7PS.C18H35O8PS/c1-12(2)24-10-17-16(9-21)14(5)7-18(17)27-28(22,23)29-11-20-19(25-13(3)4)8-15(6)26-20;1-12(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;1-11(2)23-9-16-18(7-13(5)26-16)29-28(21,22)24-10-17-19(25-12(3)4)15(8-20)14(6)27-17;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)22-10-18(19)17(8-14(6)25-18)26-27(20,21)28-9-16-15(23-12(3)4)7-13(5)24-16/h12-21H,7-11H2,1-6H3,(H,22,23);12-18,20H,7-11H2,1-6H3,(H,21,22);11-20H,7-10H2,1-6H3,(H,21,22);11-20H,7-10H2,1-6H3,(H,21,22);11-17,19H,7-10H2,1-6H3,(H,20,21)/p-5/t14-,15-,16?,17-,18+,19+,20+;14-,15-,16+,17+,18+,19+;13-,14-,15?,16+,17+,18+,19+;13-,14-,15+,16+,17+,18+,19?;13-,14-,15+,16+,17+,18+/m00000/s1
InChIKeyMVUXRVKXDWOAJB-UCLCTSFYSA-I
XLogP13.56
TPSA514.09 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds53
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002245.65
LogP ≤ 513.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-3-(hydroxymethyl)-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(2R,3R,5S)-4-(hydroxymethyl)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate;[(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;[(2R,3R,5S)-2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate?
The IUPAC name of [(1R,2R,4S)-3-(hydroxymethyl)-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(2R,3R,5S)-4-(hydroxymethyl)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate;[(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;[(2R,3R,5S)-2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate (CID 159686091) is [(1R,2R,4S)-3-(hydroxymethyl)-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(2R,3R,5S)-4-(hydroxymethyl)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate;[(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;[(2R,3R,5S)-2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate.
What is the SMILES notation for [(1R,2R,4S)-3-(hydroxymethyl)-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(2R,3R,5S)-4-(hydroxymethyl)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate;[(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;[(2R,3R,5S)-2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate?
The canonical SMILES for [(1R,2R,4S)-3-(hydroxymethyl)-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(2R,3R,5S)-4-(hydroxymethyl)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate;[(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;[(2R,3R,5S)-2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate 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)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]1C(CO)[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(CO)[C@H]1OC(C)C.
What is the InChIKey of [(1R,2R,4S)-3-(hydroxymethyl)-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(2R,3R,5S)-4-(hydroxymethyl)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate;[(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;[(2R,3R,5S)-2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate?
The InChIKey is MVUXRVKXDWOAJB-UCLCTSFYSA-I. The full InChI is InChI=1S/C20H39O7PS.2C19H37O8PS.C19H37O7PS.C18H35O8PS/c1-12(2)24-10-17-16(9-21)14(5)7-18(17)27-28(22,23)29-11-20-19(25-13(3)4)8-15(6)26-20;1-12(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;1-11(2)23-9-16-18(7-13(5)26-16)29-28(21,22)24-10-17-19(25-12(3)4)15(8-20)14(6)27-17;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)22-10-18(19)17(8-14(6)25-18)26-27(20,21)28-9-16-15(23-12(3)4)7-13(5)24-16/h12-21H,7-11H2,1-6H3,(H,22,23);12-18,20H,7-11H2,1-6H3,(H,21,22);11-20H,7-10H2,1-6H3,(H,21,22);11-20H,7-10H2,1-6H3,(H,21,22);11-17,19H,7-10H2,1-6H3,(H,20,21)/p-5/t14-,15-,16?,17-,18+,19+,20+;14-,15-,16+,17+,18+,19+;13-,14-,15?,16+,17+,18+,19+;13-,14-,15+,16+,17+,18+,19?;13-,14-,15+,16+,17+,18+/m00000/s1.
What are the key properties of [(1R,2R,4S)-3-(hydroxymethyl)-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(2R,3R,5S)-4-(hydroxymethyl)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate;[(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;[(2R,3R,5S)-2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate?
[(1R,2R,4S)-3-(hydroxymethyl)-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(2R,3R,5S)-4-(hydroxymethyl)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate;[(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;[(2R,3R,5S)-2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate has a molecular weight of 2245.65 g/mol, XLogP of 13.56, 53 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-3-(hydroxymethyl)-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate;[(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;[(2R,3R,5S)-4-(hydroxymethyl)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy-[(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinate;[(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;[(2R,3R,5S)-2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylsulfanyl]phosphinate is sourced from PubChem (CID 159686091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).