[(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate

C14H26O7PS- — CID 59129665

IUPAC[(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate
SMILESCOCC1OC(C)C[C@@H]1OP(=O)([O-])SCC1OC(C)C[C@@H]1OC
InChIInChI=1S/C14H27O7PS/c1-9-5-11(18-4)14(20-9)8-23-22(15,16)21-12-6-10(2)19-13(12)7-17-3/h9-14H,5-8H2,1-4H3,(H,15,16)/p-1/t9?,10?,11-,12-,13?,14?/m0/s1
InChIKeyLRBJLVNDZPEUGD-HAZYGNEWSA-M
MW369.40 g/mol
LogP1.59
Rot. Bonds8

About [(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate

[(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate (PubChem CID 59129665) has the molecular formula C14H26O7PS- and a molecular weight of 369.40 g/mol. Its IUPAC name is [(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate.

Molecular Properties

Compound Name[(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate
PubChem CID59129665
Molecular FormulaC14H26O7PS-
Molecular Weight369.40 g/mol
Exact Mass369.11
IUPAC Name[(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate
SMILESCOCC1OC(C)C[C@@H]1OP(=O)([O-])SCC1OC(C)C[C@@H]1OC
InChIInChI=1S/C14H27O7PS/c1-9-5-11(18-4)14(20-9)8-23-22(15,16)21-12-6-10(2)19-13(12)7-17-3/h9-14H,5-8H2,1-4H3,(H,15,16)/p-1/t9?,10?,11-,12-,13?,14?/m0/s1
InChIKeyLRBJLVNDZPEUGD-HAZYGNEWSA-M
XLogP1.59
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate?
The IUPAC name of [(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate (CID 59129665) is [(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate.
What is the SMILES notation for [(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate?
The canonical SMILES for [(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate is COCC1OC(C)C[C@@H]1OP(=O)([O-])SCC1OC(C)C[C@@H]1OC.
What is the InChIKey of [(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate?
The InChIKey is LRBJLVNDZPEUGD-HAZYGNEWSA-M. The full InChI is InChI=1S/C14H27O7PS/c1-9-5-11(18-4)14(20-9)8-23-22(15,16)21-12-6-10(2)19-13(12)7-17-3/h9-14H,5-8H2,1-4H3,(H,15,16)/p-1/t9?,10?,11-,12-,13?,14?/m0/s1.
What are the key properties of [(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate?
[(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate has a molecular weight of 369.40 g/mol, XLogP of 1.59, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-[[(3S)-3-methoxy-5-methyloxolan-2-yl]methylsulfanyl]phosphinate is sourced from PubChem (CID 59129665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).