methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate

C34H62O19 — CID 91730717

IUPACmethyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate
SMILESCOCC(OC)C(OC)C(COC)OC1OC(C(=O)OC)C(OC)C(OC)C1OC1OC(C)C(OC)C(O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OC)C1OC
InChIInChI=1S/C34H62O19/c1-17-21(40-6)26(51-32-28(45-11)23(42-8)19(39-5)16-48-32)29(46-12)33(49-17)53-30-25(44-10)24(43-9)27(31(35)47-13)52-34(30)50-20(15-37-3)22(41-7)18(38-4)14-36-2/h17-30,32-34H,14-16H2,1-13H3/t17?,18?,19-,20?,21?,22?,23+,24?,25?,26?,27?,28-,29?,30?,32+,33?,34?/m1/s1
InChIKeyJANWYCPGVPENQZ-NJKYKUBZSA-N
MW774.85 g/mol
LogP-0.43
Rot. Bonds22

About methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate

methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate (PubChem CID 91730717) has the molecular formula C34H62O19 and a molecular weight of 774.85 g/mol. Its IUPAC name is methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate
PubChem CID91730717
Molecular FormulaC34H62O19
Molecular Weight774.85 g/mol
Exact Mass774.39
IUPAC Namemethyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate
SMILESCOCC(OC)C(OC)C(COC)OC1OC(C(=O)OC)C(OC)C(OC)C1OC1OC(C)C(OC)C(O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OC)C1OC
InChIInChI=1S/C34H62O19/c1-17-21(40-6)26(51-32-28(45-11)23(42-8)19(39-5)16-48-32)29(46-12)33(49-17)53-30-25(44-10)24(43-9)27(31(35)47-13)52-34(30)50-20(15-37-3)22(41-7)18(38-4)14-36-2/h17-30,32-34H,14-16H2,1-13H3/t17?,18?,19-,20?,21?,22?,23+,24?,25?,26?,27?,28-,29?,30?,32+,33?,34?/m1/s1
InChIKeyJANWYCPGVPENQZ-NJKYKUBZSA-N
XLogP-0.43
TPSA183.21 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.85
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate?
The IUPAC name of methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate (CID 91730717) is methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate.
What is the SMILES notation for methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate?
The canonical SMILES for methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate is COCC(OC)C(OC)C(COC)OC1OC(C(=O)OC)C(OC)C(OC)C1OC1OC(C)C(OC)C(O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OC)C1OC.
What is the InChIKey of methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate?
The InChIKey is JANWYCPGVPENQZ-NJKYKUBZSA-N. The full InChI is InChI=1S/C34H62O19/c1-17-21(40-6)26(51-32-28(45-11)23(42-8)19(39-5)16-48-32)29(46-12)33(49-17)53-30-25(44-10)24(43-9)27(31(35)47-13)52-34(30)50-20(15-37-3)22(41-7)18(38-4)14-36-2/h17-30,32-34H,14-16H2,1-13H3/t17?,18?,19-,20?,21?,22?,23+,24?,25?,26?,27?,28-,29?,30?,32+,33?,34?/m1/s1.
What are the key properties of methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate?
methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate has a molecular weight of 774.85 g/mol, XLogP of -0.43, 22 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate is sourced from PubChem (CID 91730717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).