[(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate

C19H28O10 — CID 134936568

IUPAC[(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate
SMILESC=CCCCOC1O[C@H]([C@@H](COC(C)=O)OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C19H28O10/c1-6-7-8-9-24-19-18(28-14(5)23)17(27-13(4)22)16(29-19)15(26-12(3)21)10-25-11(2)20/h6,15-19H,1,7-10H2,2-5H3/t15-,16-,17+,18+,19?/m1/s1
InChIKeyXOLYQHQPHOOVCM-OKLPXFMBSA-N
MW416.42 g/mol
LogP1.05
Rot. Bonds11

About [(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate

[(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate (PubChem CID 134936568) has the molecular formula C19H28O10 and a molecular weight of 416.42 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate
PubChem CID134936568
Molecular FormulaC19H28O10
Molecular Weight416.42 g/mol
Exact Mass416.17
IUPAC Name[(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate
SMILESC=CCCCOC1O[C@H]([C@@H](COC(C)=O)OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C19H28O10/c1-6-7-8-9-24-19-18(28-14(5)23)17(27-13(4)22)16(29-19)15(26-12(3)21)10-25-11(2)20/h6,15-19H,1,7-10H2,2-5H3/t15-,16-,17+,18+,19?/m1/s1
InChIKeyXOLYQHQPHOOVCM-OKLPXFMBSA-N
XLogP1.05
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate with MolForge

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Related Compounds

4-Penten-1-yl 2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside
CID 10409646
6,7-dideoxy-1,2,3,4-tetraacetate-L-galacto-hept-6-enopyranose
CID 58013660
[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-pent-4-enoxyoxan-2-yl]methyl acetate
CID 68792360
[(2S,3R,4S,5R,6S)-4,5-diacetyloxy-6-methoxy-3-prop-2-enyloxan-2-yl]methyl acetate
CID 11439341
(4,5-Diacetyloxy-6-methoxy-3-prop-2-enyloxan-2-yl)methyl acetate
CID 72962004
[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enyl] acetate
CID 101441099
[(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate
CID 101999616
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate
CID 101999617
[(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-pent-4-enoxyoxan-2-yl]methyl acetate
CID 134937283
[(3R,6S)-3,4,5-triacetyloxy-6-[2-acetyloxy-2-[(2S,5S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethoxy]oxan-2-yl]methyl acetate
CID 134972318
1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate
CID 135009671
[1,2-Bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate
CID 135015069

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate?
The IUPAC name of [(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate (CID 134936568) is [(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate.
What is the SMILES notation for [(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate?
The canonical SMILES for [(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate is C=CCCCOC1O[C@H]([C@@H](COC(C)=O)OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate?
The InChIKey is XOLYQHQPHOOVCM-OKLPXFMBSA-N. The full InChI is InChI=1S/C19H28O10/c1-6-7-8-9-24-19-18(28-14(5)23)17(27-13(4)22)16(29-19)15(26-12(3)21)10-25-11(2)20/h6,15-19H,1,7-10H2,2-5H3/t15-,16-,17+,18+,19?/m1/s1.
What are the key properties of [(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate?
[(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate has a molecular weight of 416.42 g/mol, XLogP of 1.05, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate is sourced from PubChem (CID 134936568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).