(3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one

C10H18O6 — CID 22887058

IUPAC(3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one
SMILESCOC[C@@H](OC)[C@H]1OC(=O)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C10H18O6/c1-12-5-6(13-2)7-8(14-3)9(15-4)10(11)16-7/h6-9H,5H2,1-4H3/t6-,7-,8+,9+/m1/s1
InChIKeyORZXZJQBESTADD-HXFLIBJXSA-N
MW234.25 g/mol
LogP-0.40
Rot. Bonds6

About (3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one

(3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one (PubChem CID 22887058) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is (3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one.

Molecular Properties

Compound Name(3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one
PubChem CID22887058
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name(3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one
SMILESCOC[C@@H](OC)[C@H]1OC(=O)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C10H18O6/c1-12-5-6(13-2)7-8(14-3)9(15-4)10(11)16-7/h6-9H,5H2,1-4H3/t6-,7-,8+,9+/m1/s1
InChIKeyORZXZJQBESTADD-HXFLIBJXSA-N
XLogP-0.40
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one?
The IUPAC name of (3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one (CID 22887058) is (3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one.
What is the SMILES notation for (3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one?
The canonical SMILES for (3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one is COC[C@@H](OC)[C@H]1OC(=O)[C@@H](OC)[C@H]1OC.
What is the InChIKey of (3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one?
The InChIKey is ORZXZJQBESTADD-HXFLIBJXSA-N. The full InChI is InChI=1S/C10H18O6/c1-12-5-6(13-2)7-8(14-3)9(15-4)10(11)16-7/h6-9H,5H2,1-4H3/t6-,7-,8+,9+/m1/s1.
What are the key properties of (3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one?
(3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one has a molecular weight of 234.25 g/mol, XLogP of -0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-one is sourced from PubChem (CID 22887058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).