[(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid

C19H37O7PS — CID 59905678

IUPAC[(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid
SMILESCC(C)OC[C@H]1O[C@@H](C)CC1SP(=O)(O)OC[C@@H]1C(OC(C)C)C[C@H](C)C1O
InChIInChI=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)/t13-,14-,15+,16?,17+,18?,19?/m0/s1
InChIKeyWNLCRLGMDZDJQM-MQJPFYEVSA-N
MW440.54 g/mol
LogP3.62
Rot. Bonds10

About [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid

[(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid (PubChem CID 59905678) has the molecular formula C19H37O7PS and a molecular weight of 440.54 g/mol. Its IUPAC name is [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid.

Molecular Properties

Compound Name[(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid
PubChem CID59905678
Molecular FormulaC19H37O7PS
Molecular Weight440.54 g/mol
Exact Mass440.20
IUPAC Name[(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid
SMILESCC(C)OC[C@H]1O[C@@H](C)CC1SP(=O)(O)OC[C@@H]1C(OC(C)C)C[C@H](C)C1O
InChIInChI=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)/t13-,14-,15+,16?,17+,18?,19?/m0/s1
InChIKeyWNLCRLGMDZDJQM-MQJPFYEVSA-N
XLogP3.62
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid?
The IUPAC name of [(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) is [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid.
What is the SMILES notation for [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid?
The canonical SMILES for [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid is CC(C)OC[C@H]1O[C@@H](C)CC1SP(=O)(O)OC[C@@H]1C(OC(C)C)C[C@H](C)C1O.
What is the InChIKey of [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid?
The InChIKey is WNLCRLGMDZDJQM-MQJPFYEVSA-N. 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)/t13-,14-,15+,16?,17+,18?,19?/m0/s1.
What are the key properties of [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid?
[(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid has a molecular weight of 440.54 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid is sourced from PubChem (CID 59905678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).