methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate

C16H24O10 — CID 11268875

IUPACmethyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate
SMILESCOC(=O)[C@H]1O[C@@H](OC(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C16H24O10/c1-7(2)22-16-14(25-10(5)19)12(24-9(4)18)11(23-8(3)17)13(26-16)15(20)21-6/h7,11-14,16H,1-6H3/t11-,12-,13-,14+,16+/m0/s1
InChIKeyWMLVFLHCFASTLY-GRYWWWGRSA-N
MW376.36 g/mol
LogP0.10
Rot. Bonds6

About methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate

methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate (PubChem CID 11268875) has the molecular formula C16H24O10 and a molecular weight of 376.36 g/mol. Its IUPAC name is methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate
PubChem CID11268875
Molecular FormulaC16H24O10
Molecular Weight376.36 g/mol
Exact Mass376.14
IUPAC Namemethyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate
SMILESCOC(=O)[C@H]1O[C@@H](OC(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C16H24O10/c1-7(2)22-16-14(25-10(5)19)12(24-9(4)18)11(23-8(3)17)13(26-16)15(20)21-6/h7,11-14,16H,1-6H3/t11-,12-,13-,14+,16+/m0/s1
InChIKeyWMLVFLHCFASTLY-GRYWWWGRSA-N
XLogP0.10
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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CID 7314
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CID 18392195
2,3,4,5,6-Penta-O-acetyl-D-glucose
CID 92972
Kaltostat
CID 6850754
Calcium Glubionate
CID 6093269
D-maltobiono-1,5-lactone
CID 657034
Methyl 1,2,3,4-tetra-O-acetyl-beta-D-glucopyranuronate
CID 95087
beta-D-Glucopyranuronic acid, 1-(3-methylbutanoate)
CID 137383
Lactobionate
CID 40479693
octanoyl-beta-D-glucuronide
CID 127448
Digalacturonate
CID 439694
beta-D-GlcpA-(1->6)-beta-D-Galp
CID 70680285

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate?
The IUPAC name of methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate (CID 11268875) is methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate.
What is the SMILES notation for methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate?
The canonical SMILES for methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate is COC(=O)[C@H]1O[C@@H](OC(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate?
The InChIKey is WMLVFLHCFASTLY-GRYWWWGRSA-N. The full InChI is InChI=1S/C16H24O10/c1-7(2)22-16-14(25-10(5)19)12(24-9(4)18)11(23-8(3)17)13(26-16)15(20)21-6/h7,11-14,16H,1-6H3/t11-,12-,13-,14+,16+/m0/s1.
What are the key properties of methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate?
methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate has a molecular weight of 376.36 g/mol, XLogP of 0.10, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate is sourced from PubChem (CID 11268875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).