(4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane

C11H21O6PS2 — CID 129034205

IUPAC(4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane
SMILESCOCCOCCOCCO[C@H]1CSSC[C@@H]1OP=O
InChIInChI=1S/C11H21O6PS2/c1-13-2-3-14-4-5-15-6-7-16-10-8-19-20-9-11(10)17-18-12/h10-11H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyYWAPHHPYGOHQAS-QWRGUYRKSA-N
MW344.39 g/mol
LogP2.04
Rot. Bonds12

About (4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane

(4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane (PubChem CID 129034205) has the molecular formula C11H21O6PS2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane.

Molecular Properties

Compound Name(4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane
PubChem CID129034205
Molecular FormulaC11H21O6PS2
Molecular Weight344.39 g/mol
Exact Mass344.05
IUPAC Name(4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane
SMILESCOCCOCCOCCO[C@H]1CSSC[C@@H]1OP=O
InChIInChI=1S/C11H21O6PS2/c1-13-2-3-14-4-5-15-6-7-16-10-8-19-20-9-11(10)17-18-12/h10-11H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyYWAPHHPYGOHQAS-QWRGUYRKSA-N
XLogP2.04
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane?
The IUPAC name of (4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane (CID 129034205) is (4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane.
What is the SMILES notation for (4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane?
The canonical SMILES for (4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane is COCCOCCOCCO[C@H]1CSSC[C@@H]1OP=O.
What is the InChIKey of (4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane?
The InChIKey is YWAPHHPYGOHQAS-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21O6PS2/c1-13-2-3-14-4-5-15-6-7-16-10-8-19-20-9-11(10)17-18-12/h10-11H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of (4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane?
(4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane has a molecular weight of 344.39 g/mol, XLogP of 2.04, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-phosphorosooxydithiane is sourced from PubChem (CID 129034205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).