methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate

C16H24O10 — CID 101458194

IUPACmethyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate
SMILESCOC(=O)C[C@H]1[C@H](OC)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C16H24O10/c1-8(17)23-7-12-15(25-10(3)19)14(24-9(2)18)11(6-13(20)21-4)16(22-5)26-12/h11-12,14-16H,6-7H2,1-5H3/t11-,12-,14-,15-,16-/m1/s1
InChIKeyRNUKPKQPQFKEAX-CCECPURYSA-N
MW376.36 g/mol
LogP-0.04
Rot. Bonds7

About methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate

methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate (PubChem CID 101458194) has the molecular formula C16H24O10 and a molecular weight of 376.36 g/mol. Its IUPAC name is methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate
PubChem CID101458194
Molecular FormulaC16H24O10
Molecular Weight376.36 g/mol
Exact Mass376.14
IUPAC Namemethyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate
SMILESCOC(=O)C[C@H]1[C@H](OC)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C16H24O10/c1-8(17)23-7-12-15(25-10(3)19)14(24-9(2)18)11(6-13(20)21-4)16(22-5)26-12/h11-12,14-16H,6-7H2,1-5H3/t11-,12-,14-,15-,16-/m1/s1
InChIKeyRNUKPKQPQFKEAX-CCECPURYSA-N
XLogP-0.04
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 129207028
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(2S,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]methyl]oxan-2-yl]methyl acetate
CID 11050559
[(2S,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 71771975
[(3R,4S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 70864054
[(3R,4S,5R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 45050229
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 2795017
[(3R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 45050578
[(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate
CID 101274323
[(2R,3R,4R,5R,6S)-3,4,6-triacetyloxy-5-(2-methylprop-2-enyl)oxan-2-yl]methyl acetate
CID 53362290
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 10416815
[(2R,3R,4S,5S,6S)-5-acetyloxy-3,4,6-trimethoxyoxan-2-yl]methyl acetate
CID 22214452
[(2R,3R,4S,5R,6S)-5-acetamido-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 1286720

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate?
The IUPAC name of methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate (CID 101458194) is methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate is COC(=O)C[C@H]1[C@H](OC)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate?
The InChIKey is RNUKPKQPQFKEAX-CCECPURYSA-N. The full InChI is InChI=1S/C16H24O10/c1-8(17)23-7-12-15(25-10(3)19)14(24-9(2)18)11(6-13(20)21-4)16(22-5)26-12/h11-12,14-16H,6-7H2,1-5H3/t11-,12-,14-,15-,16-/m1/s1.
What are the key properties of methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate?
methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate has a molecular weight of 376.36 g/mol, XLogP of -0.04, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate is sourced from PubChem (CID 101458194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).