[(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium

C15H29N2O8Y- — CID 59235857

IUPAC[(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium
SMILESCNC1[C@H](O[C@H]2C(O)C([NH-])[C@@H](OC)O[C@@H]2CO)OC(CO)[C@H](C)[C@@H]1O.[Y]
InChIInChI=1S/C15H29N2O8.Y/c1-6-7(4-18)23-15(10(17-2)11(6)20)25-13-8(5-19)24-14(22-3)9(16)12(13)21;/h6-21H,4-5H2,1-3H3;/q-1;/t6-,7?,8+,9?,10?,11-,12?,13+,14-,15-;/m0./s1
InChIKeyCQBSKNNDPDXMGS-ZTOJADNCSA-N
MW454.31 g/mol
LogP-2.18
Rot. Bonds6

About [(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium

[(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium (PubChem CID 59235857) has the molecular formula C15H29N2O8Y- and a molecular weight of 454.31 g/mol. Its IUPAC name is [(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium.

Molecular Properties

Compound Name[(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium
PubChem CID59235857
Molecular FormulaC15H29N2O8Y-
Molecular Weight454.31 g/mol
Exact Mass454.10
IUPAC Name[(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium
SMILESCNC1[C@H](O[C@H]2C(O)C([NH-])[C@@H](OC)O[C@@H]2CO)OC(CO)[C@H](C)[C@@H]1O.[Y]
InChIInChI=1S/C15H29N2O8.Y/c1-6-7(4-18)23-15(10(17-2)11(6)20)25-13-8(5-19)24-14(22-3)9(16)12(13)21;/h6-21H,4-5H2,1-3H3;/q-1;/t6-,7?,8+,9?,10?,11-,12?,13+,14-,15-;/m0./s1
InChIKeyCQBSKNNDPDXMGS-ZTOJADNCSA-N
XLogP-2.18
TPSA153.67 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 5-2.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze [(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium?
The IUPAC name of [(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium (CID 59235857) is [(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium.
What is the SMILES notation for [(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium?
The canonical SMILES for [(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium is CNC1[C@H](O[C@H]2C(O)C([NH-])[C@@H](OC)O[C@@H]2CO)OC(CO)[C@H](C)[C@@H]1O.[Y].
What is the InChIKey of [(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium?
The InChIKey is CQBSKNNDPDXMGS-ZTOJADNCSA-N. The full InChI is InChI=1S/C15H29N2O8.Y/c1-6-7(4-18)23-15(10(17-2)11(6)20)25-13-8(5-19)24-14(22-3)9(16)12(13)21;/h6-21H,4-5H2,1-3H3;/q-1;/t6-,7?,8+,9?,10?,11-,12?,13+,14-,15-;/m0./s1.
What are the key properties of [(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium?
[(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium has a molecular weight of 454.31 g/mol, XLogP of -2.18, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S,6R)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]azanide;yttrium is sourced from PubChem (CID 59235857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).