[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate

C16H22O10 — CID 11843235

IUPAC[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate
SMILESC=CO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C16H22O10/c1-6-21-16-15(25-11(5)20)14(24-10(4)19)13(23-9(3)18)12(26-16)7-22-8(2)17/h6,12-16H,1,7H2,2-5H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyZFOKNAHZHMGICE-IBEHDNSVSA-N
MW374.34 g/mol
LogP0.23
Rot. Bonds7

About [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate (PubChem CID 11843235) has the molecular formula C16H22O10 and a molecular weight of 374.34 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate
PubChem CID11843235
Molecular FormulaC16H22O10
Molecular Weight374.34 g/mol
Exact Mass374.12
IUPAC Name[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate
SMILESC=CO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C16H22O10/c1-6-21-16-15(25-11(5)20)14(24-10(4)19)13(23-9(3)18)12(26-16)7-22-8(2)17/h6,12-16H,1,7H2,2-5H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyZFOKNAHZHMGICE-IBEHDNSVSA-N
XLogP0.23
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate (CID 11843235) is [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate is C=CO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate?
The InChIKey is ZFOKNAHZHMGICE-IBEHDNSVSA-N. The full InChI is InChI=1S/C16H22O10/c1-6-21-16-15(25-11(5)20)14(24-10(4)19)13(23-9(3)18)12(26-16)7-22-8(2)17/h6,12-16H,1,7H2,2-5H3/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate?
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate has a molecular weight of 374.34 g/mol, XLogP of 0.23, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethenoxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 11843235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).