[(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

About [(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

[(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 (PubChem CID 59914455) has the molecular formula C19H36O7PS- and a molecular weight of 439.53 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name	[(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
PubChem CID	59914455
Molecular Formula	C19H36O7PS-
Molecular Weight	439.53 g/mol
Exact Mass	439.19
IUPAC Name	[(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
SMILES	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
InChI	InChI=1S/C19H37O7PS/c1-11(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/h11-20H,7-10H2,1-6H3,(H,21,22)/p-1/t13-,14-,15+,16+,17+,18+,19?/m0/s1
InChIKey	WNLCRLGMDZDJQM-COHSUCHESA-M
XLogP	2.99
TPSA	97.28 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	10
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.53
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(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?

The IUPAC name of [(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) is [(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.

What is the SMILES notation for [(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?

The canonical SMILES for [(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 is 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.

What is the InChIKey of [(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?

The InChIKey is WNLCRLGMDZDJQM-COHSUCHESA-M. The full InChI is InChI=1S/C19H37O7PS/c1-11(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/h11-20H,7-10H2,1-6H3,(H,21,22)/p-1/t13-,14-,15+,16+,17+,18+,19?/m0/s1.

What are the key properties of [(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?

[(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 has a molecular weight of 439.53 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(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 is sourced from PubChem (CID 59914455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).