[(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate

C15H24O5 — CID 90365470

IUPAC[(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate
SMILESC=CC[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](C)[C@@H]1C
InChIInChI=1S/C15H24O5/c1-6-7-13-9(2)10(3)15(19-12(5)17)14(20-13)8-18-11(4)16/h6,9-10,13-15H,1,7-8H2,2-5H3/t9-,10+,13+,14+,15-/m0/s1
InChIKeyGYSAXDVKKCKKAY-HLXQIYJLSA-N
MW284.35 g/mol
LogP2.10
Rot. Bonds5

About [(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate

[(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate (PubChem CID 90365470) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is [(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate
PubChem CID90365470
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name[(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate
SMILESC=CC[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](C)[C@@H]1C
InChIInChI=1S/C15H24O5/c1-6-7-13-9(2)10(3)15(19-12(5)17)14(20-13)8-18-11(4)16/h6,9-10,13-15H,1,7-8H2,2-5H3/t9-,10+,13+,14+,15-/m0/s1
InChIKeyGYSAXDVKKCKKAY-HLXQIYJLSA-N
XLogP2.10
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate with MolForge

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Related Compounds

[(3R,4R,5S,6R)-4,5-diacetyloxy-6-prop-2-enyloxan-3-yl] acetate
CID 102517485
[(2S,3R,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-prop-2-enyloxan-3-yl] acetate
CID 102572250
[(2S,4R,5R)-5-acetyloxy-2-prop-2-enyloxan-4-yl] acetate
CID 134830906
[(3R,6R)-4,5-diacetyloxy-6-prop-2-enyloxan-3-yl] acetate
CID 134830996
[(3R,6S)-4,5-diacetyloxy-2-methyl-6-prop-2-enyloxan-3-yl] acetate
CID 134831752
[(2S,3S,4R,5S,6R)-4,5-diacetyloxy-2-methyl-6-prop-2-enyloxan-3-yl] acetate
CID 134938333
3-(2,3,4-tri-O-acetyl-alpha-L-fucopyranosyl)-1-propene
CID 10979938
[(2S,3R,4R,5R)-4,5-diacetyloxy-2-methyl-6-prop-2-enyloxan-3-yl] acetate
CID 15344808
[(3R,4R,5R,6R)-4,5-diacetyloxy-6-prop-2-enyloxan-3-yl] acetate
CID 57095267
[(3R,4S,5S,6R)-4,5-diacetyloxy-6-prop-2-enyloxan-3-yl] acetate
CID 57107036
[(2S,3S,4R,5S,6S)-4,5-diacetyloxy-2-methyl-6-prop-2-enyloxan-3-yl] acetate
CID 57129787
[(3S,4S,5S,6S)-4,5-diacetyloxy-6-prop-2-enyloxan-3-yl] acetate
CID 57186191

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate (CID 90365470) is [(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate is C=CC[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](C)[C@@H]1C.
What is the InChIKey of [(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate?
The InChIKey is GYSAXDVKKCKKAY-HLXQIYJLSA-N. The full InChI is InChI=1S/C15H24O5/c1-6-7-13-9(2)10(3)15(19-12(5)17)14(20-13)8-18-11(4)16/h6,9-10,13-15H,1,7-8H2,2-5H3/t9-,10+,13+,14+,15-/m0/s1.
What are the key properties of [(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate?
[(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate has a molecular weight of 284.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5S,6R)-3-acetyloxy-4,5-dimethyl-6-prop-2-enyloxan-2-yl]methyl acetate is sourced from PubChem (CID 90365470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).