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

C15H29N2O8Y- — CID 58544353

IUPAC[(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium
SMILESCNC1[C@H](O[C@H]2C(O)C([NH-])[C@@H](OC)O[C@@H]2OC)OC(CO)[C@H](C)[C@@H]1O.[Y]
InChIInChI=1S/C15H29N2O8.Y/c1-6-7(5-18)23-14(9(17-2)10(6)19)24-12-11(20)8(16)13(21-3)25-15(12)22-4;/h6-20H,5H2,1-4H3;/q-1;/t6-,7?,8?,9?,10-,11?,12-,13-,14-,15-;/m0./s1
InChIKeyCJJZISJFEMKGIT-JVDYDROMSA-N
MW454.31 g/mol
LogP-1.57
Rot. Bonds6

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

[(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium (PubChem CID 58544353) has the molecular formula C15H29N2O8Y- and a molecular weight of 454.31 g/mol. Its IUPAC name is [(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium.

Molecular Properties

Compound Name[(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium
PubChem CID58544353
Molecular FormulaC15H29N2O8Y-
Molecular Weight454.31 g/mol
Exact Mass454.10
IUPAC Name[(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium
SMILESCNC1[C@H](O[C@H]2C(O)C([NH-])[C@@H](OC)O[C@@H]2OC)OC(CO)[C@H](C)[C@@H]1O.[Y]
InChIInChI=1S/C15H29N2O8.Y/c1-6-7(5-18)23-14(9(17-2)10(6)19)24-12-11(20)8(16)13(21-3)25-15(12)22-4;/h6-20H,5H2,1-4H3;/q-1;/t6-,7?,8?,9?,10-,11?,12-,13-,14-,15-;/m0./s1
InChIKeyCJJZISJFEMKGIT-JVDYDROMSA-N
XLogP-1.57
TPSA142.67 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium?
The IUPAC name of [(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium (CID 58544353) is [(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium.
What is the SMILES notation for [(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium?
The canonical SMILES for [(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium is CNC1[C@H](O[C@H]2C(O)C([NH-])[C@@H](OC)O[C@@H]2OC)OC(CO)[C@H](C)[C@@H]1O.[Y].
What is the InChIKey of [(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium?
The InChIKey is CJJZISJFEMKGIT-JVDYDROMSA-N. The full InChI is InChI=1S/C15H29N2O8.Y/c1-6-7(5-18)23-14(9(17-2)10(6)19)24-12-11(20)8(16)13(21-3)25-15(12)22-4;/h6-20H,5H2,1-4H3;/q-1;/t6-,7?,8?,9?,10-,11?,12-,13-,14-,15-;/m0./s1.
What are the key properties of [(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium?
[(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium has a molecular weight of 454.31 g/mol, XLogP of -1.57, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S,6S)-4-hydroxy-5-[(2S,4S,5R)-4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium is sourced from PubChem (CID 58544353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).