methyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate

C17H26O10 — CID 91752390

IUPACmethyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate
SMILESCC[C@@H](C)OC1OC(C(=O)OC)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C17H26O10/c1-7-8(2)23-17-15(26-11(5)20)13(25-10(4)19)12(24-9(3)18)14(27-17)16(21)22-6/h8,12-15,17H,7H2,1-6H3/t8-,12?,13?,14?,15?,17?/m1/s1
InChIKeyUSMXXCSZCGJCAC-SNBXIZFTSA-N
MW390.39 g/mol
LogP0.49
Rot. Bonds7

About methyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate

methyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate (PubChem CID 91752390) has the molecular formula C17H26O10 and a molecular weight of 390.39 g/mol. Its IUPAC name is methyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate
PubChem CID91752390
Molecular FormulaC17H26O10
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC Namemethyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate
SMILESCC[C@@H](C)OC1OC(C(=O)OC)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C17H26O10/c1-7-8(2)23-17-15(26-11(5)20)13(25-10(4)19)12(24-9(3)18)14(27-17)16(21)22-6/h8,12-15,17H,7H2,1-6H3/t8-,12?,13?,14?,15?,17?/m1/s1
InChIKeyUSMXXCSZCGJCAC-SNBXIZFTSA-N
XLogP0.49
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,5S)-3,4,5-triacetyloxyoxolane-2-carboxylate
CID 131700717
methyl 3,4-diacetyloxy-5,6-dimethoxyoxane-2-carboxylate
CID 537948
methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-chloroethoxy)oxane-2-carboxylate
CID 15720027
methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethoxy)oxane-2-carboxylate
CID 14048635
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(acetyloxymethylcarbamoyloxy)oxane-2-carboxylate
CID 10742133
methyl (3S,4S,5R)-3,4,5-triacetyloxy-6-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxane-2-carboxylate
CID 168814831
methyl 3,4,5-triacetyloxy-6-hydroxyoxane-2-carboxylate
CID 14077890
methyl (2S,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-hydroxyoxane-2-carboxylate
CID 26470996
CID 174083964
CID 174083964
methyl (2S)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate
CID 129175447
methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-methylpentanoylamino)oxane-2-carboxylate
CID 10113576
trimethylsilyl 6-[(2S)-butan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
CID 91752388

Frequently Asked Questions

What is the IUPAC name of methyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate?
The IUPAC name of methyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate (CID 91752390) is methyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate.
What is the SMILES notation for methyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate?
The canonical SMILES for methyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate is CC[C@@H](C)OC1OC(C(=O)OC)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of methyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate?
The InChIKey is USMXXCSZCGJCAC-SNBXIZFTSA-N. The full InChI is InChI=1S/C17H26O10/c1-7-8(2)23-17-15(26-11(5)20)13(25-10(4)19)12(24-9(3)18)14(27-17)16(21)22-6/h8,12-15,17H,7H2,1-6H3/t8-,12?,13?,14?,15?,17?/m1/s1.
What are the key properties of methyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate?
methyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate has a molecular weight of 390.39 g/mol, XLogP of 0.49, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4,5-triacetyloxy-6-[(2R)-butan-2-yl]oxyoxane-2-carboxylate is sourced from PubChem (CID 91752390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).