tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium)

C116H212N16O68Y4-4 — CID 159614309

IUPACtetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium)
SMILESCNC1C(OC2C(CO)OC(OC3C(CO)OC(C)C(NC(C)=O)C3O)C([NH-])C2O)OC(CO)C(OC2OC(CO)C(OC)C(O)C2N)C1O.CNC1C(OC2C(CO)OC(OC3C(CO)OC(C)C(NC(C)=O)C3O)C([NH-])C2O)OC(CO)C(OC2OC(CO)C(OC)C(O)C2N)C1O.CNC1C(OC2C(CO)OC(OC3C(CO)OC(C)C(NC(C)=O)C3O)C([NH-])C2O)OC(CO)C(OC2OC(CO)C(OC)C(O)C2N)C1O.CNC1C(OC2C(CO)OC(OC3C(CO)OC(C)C(NC(C)=O)C3O)C([NH-])C2O)OC(CO)C(OC2OC(CO)C(OC)C(O)C2N)C1O.[Y].[Y].[Y].[Y]
InChIInChI=1S/4C29H53N4O17.4Y/c4*1-9-17(33-10(2)38)21(41)25(12(6-35)44-9)48-28-16(31)20(40)24(13(7-36)46-28)50-29-18(32-3)22(42)26(14(8-37)47-29)49-27-15(30)19(39)23(43-4)11(5-34)45-27;;;;/h4*9,11-29,31-32,34-37,39-42H,5-8,30H2,1-4H3,(H,33,38);;;;/q4*-1;;;;
InChIKeyJQXZBYSVXQPQIT-UHFFFAOYSA-N
MW3274.64 g/mol
LogP-26.52
Rot. Bonds52

About tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium)

tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium) (PubChem CID 159614309) has the molecular formula C116H212N16O68Y4-4 and a molecular weight of 3274.64 g/mol. Its IUPAC name is tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium).

Molecular Properties

Compound Nametetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium)
PubChem CID159614309
Molecular FormulaC116H212N16O68Y4-4
Molecular Weight3274.64 g/mol
Exact Mass3272.99
IUPAC Nametetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium)
SMILESCNC1C(OC2C(CO)OC(OC3C(CO)OC(C)C(NC(C)=O)C3O)C([NH-])C2O)OC(CO)C(OC2OC(CO)C(OC)C(O)C2N)C1O.CNC1C(OC2C(CO)OC(OC3C(CO)OC(C)C(NC(C)=O)C3O)C([NH-])C2O)OC(CO)C(OC2OC(CO)C(OC)C(O)C2N)C1O.CNC1C(OC2C(CO)OC(OC3C(CO)OC(C)C(NC(C)=O)C3O)C([NH-])C2O)OC(CO)C(OC2OC(CO)C(OC)C(O)C2N)C1O.CNC1C(OC2C(CO)OC(OC3C(CO)OC(C)C(NC(C)=O)C3O)C([NH-])C2O)OC(CO)C(OC2OC(CO)C(OC)C(O)C2N)C1O.[Y].[Y].[Y].[Y]
InChIInChI=1S/4C29H53N4O17.4Y/c4*1-9-17(33-10(2)38)21(41)25(12(6-35)44-9)48-28-16(31)20(40)24(13(7-36)46-28)50-29-18(32-3)22(42)26(14(8-37)47-29)49-27-15(30)19(39)23(43-4)11(5-34)45-27;;;;/h4*9,11-29,31-32,34-37,39-42H,5-8,30H2,1-4H3,(H,33,38);;;;/q4*-1;;;;
InChIKeyJQXZBYSVXQPQIT-UHFFFAOYSA-N
XLogP-26.52
TPSA1306.52 Ų
H-Bond Donors44
H-Bond Acceptors76
Rotatable Bonds52
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003274.64
LogP ≤ 5-26.52
H-Bond Donors ≤ 544
H-Bond Acceptors ≤ 1076

Analyze tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium) with MolForge

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Related Compounds

N-[5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 59022417
N-[(2S,5S,6S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 140525939
N-[(2R,4R,5S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 158807122
[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(diaminomethylideneamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;yttrium
CID 59022420
(2S)-N-[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]-2,6-diaminohexanamide
CID 59022424
N-[(2R,4S,5S)-5-[(2S,4S,5R)-3-acetamido-5-[(2S,4S,5S)-3-amino-5-[(2S,4R,5R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 152930772
[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]azanium
CID 140889398
2-[[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]amino]acetic acid
CID 154627440
N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide
CID 59547393
N-[(2R)-5-[(4R)-3-amino-5-[(2S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;(4S,5S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 162068759
N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91350200
N-[(2S,5S,6S)-4-hydroxy-5-[(2S,4R,5S)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-3-[(2-sulfanylacetyl)amino]oxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-sulfanylacetamide
CID 171600474

Frequently Asked Questions

What is the IUPAC name of tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium)?
The IUPAC name of tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium) (CID 159614309) is tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium).
What is the SMILES notation for tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium)?
The canonical SMILES for tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium) is CNC1C(OC2C(CO)OC(OC3C(CO)OC(C)C(NC(C)=O)C3O)C([NH-])C2O)OC(CO)C(OC2OC(CO)C(OC)C(O)C2N)C1O.CNC1C(OC2C(CO)OC(OC3C(CO)OC(C)C(NC(C)=O)C3O)C([NH-])C2O)OC(CO)C(OC2OC(CO)C(OC)C(O)C2N)C1O.CNC1C(OC2C(CO)OC(OC3C(CO)OC(C)C(NC(C)=O)C3O)C([NH-])C2O)OC(CO)C(OC2OC(CO)C(OC)C(O)C2N)C1O.CNC1C(OC2C(CO)OC(OC3C(CO)OC(C)C(NC(C)=O)C3O)C([NH-])C2O)OC(CO)C(OC2OC(CO)C(OC)C(O)C2N)C1O.[Y].[Y].[Y].[Y].
What is the InChIKey of tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium)?
The InChIKey is JQXZBYSVXQPQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C29H53N4O17.4Y/c4*1-9-17(33-10(2)38)21(41)25(12(6-35)44-9)48-28-16(31)20(40)24(13(7-36)46-28)50-29-18(32-3)22(42)26(14(8-37)47-29)49-27-15(30)19(39)23(43-4)11(5-34)45-27;;;;/h4*9,11-29,31-32,34-37,39-42H,5-8,30H2,1-4H3,(H,33,38);;;;/q4*-1;;;;.
What are the key properties of tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium)?
tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium) has a molecular weight of 3274.64 g/mol, XLogP of -26.52, 52 rotatable bonds, 44 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis([2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-5-[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide);tetrakis(yttrium) is sourced from PubChem (CID 159614309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).