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

C15H29N2O8Y- — CID 58106100

IUPAC[(2S,5S,6S)-4-hydroxy-5-[(2R,4S,5R)-4-hydroxy-6-methoxy-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(OC)[C@H](C)[C@@H]1O.[Y]
InChIInChI=1S/C15H29N2O8.Y/c1-6-9(18)8(17-2)14(24-12(6)20-3)23-11-10(19)7(16)13(21-4)25-15(11)22-5;/h6-19H,1-5H3;/q-1;/t6-,7?,8?,9+,10?,11+,12?,13+,14-,15+;/m1./s1
InChIKeyLUKCTQVTDASCBG-VREXSWCESA-N
MW454.31 g/mol
LogP-0.96
Rot. Bonds6

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

[(2S,5S,6S)-4-hydroxy-5-[(2R,4S,5R)-4-hydroxy-6-methoxy-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium (PubChem CID 58106100) has the molecular formula C15H29N2O8Y- and a molecular weight of 454.31 g/mol. Its IUPAC name is [(2S,5S,6S)-4-hydroxy-5-[(2R,4S,5R)-4-hydroxy-6-methoxy-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-[(2R,4S,5R)-4-hydroxy-6-methoxy-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium
PubChem CID58106100
Molecular FormulaC15H29N2O8Y-
Molecular Weight454.31 g/mol
Exact Mass454.10
IUPAC Name[(2S,5S,6S)-4-hydroxy-5-[(2R,4S,5R)-4-hydroxy-6-methoxy-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(OC)[C@H](C)[C@@H]1O.[Y]
InChIInChI=1S/C15H29N2O8.Y/c1-6-9(18)8(17-2)14(24-12(6)20-3)23-11-10(19)7(16)13(21-4)25-15(11)22-5;/h6-19H,1-5H3;/q-1;/t6-,7?,8?,9+,10?,11+,12?,13+,14-,15+;/m1./s1
InChIKeyLUKCTQVTDASCBG-VREXSWCESA-N
XLogP-0.96
TPSA131.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

(2S,3R,4R,5R,6S)-2-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 44559208
6-O-alpha-rhamnopyranosyl-DMJ
CID 44559758
GlyTouCan:G56473NF
CID 123664064
GlyTouCan:G30500GY
CID 160207916
(2S,3R,4R,5R)-2-methoxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 14699893
GlyTouCan:G94975QV
CID 91846684
GlyTouCan:G70372SB
CID 91848266
GlyTouCan:G09585KE
CID 91849440
GlyTouCan:G41507PM
CID 91857375
GlyTouCan:G06372FC
CID 91859800
GlyTouCan:G98512WJ
CID 156616323
GlyTouCan:G09475YK
CID 168358288

Frequently Asked Questions

What is the IUPAC name of [(2S,5S,6S)-4-hydroxy-5-[(2R,4S,5R)-4-hydroxy-6-methoxy-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-[(2R,4S,5R)-4-hydroxy-6-methoxy-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium (CID 58106100) is [(2S,5S,6S)-4-hydroxy-5-[(2R,4S,5R)-4-hydroxy-6-methoxy-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-[(2R,4S,5R)-4-hydroxy-6-methoxy-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-[(2R,4S,5R)-4-hydroxy-6-methoxy-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(OC)[C@H](C)[C@@H]1O.[Y].
What is the InChIKey of [(2S,5S,6S)-4-hydroxy-5-[(2R,4S,5R)-4-hydroxy-6-methoxy-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium?
The InChIKey is LUKCTQVTDASCBG-VREXSWCESA-N. The full InChI is InChI=1S/C15H29N2O8.Y/c1-6-9(18)8(17-2)14(24-12(6)20-3)23-11-10(19)7(16)13(21-4)25-15(11)22-5;/h6-19H,1-5H3;/q-1;/t6-,7?,8?,9+,10?,11+,12?,13+,14-,15+;/m1./s1.
What are the key properties of [(2S,5S,6S)-4-hydroxy-5-[(2R,4S,5R)-4-hydroxy-6-methoxy-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium?
[(2S,5S,6S)-4-hydroxy-5-[(2R,4S,5R)-4-hydroxy-6-methoxy-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 -0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S,6S)-4-hydroxy-5-[(2R,4S,5R)-4-hydroxy-6-methoxy-5-methyl-3-(methylamino)oxan-2-yl]oxy-2,6-dimethoxyoxan-3-yl]azanide;yttrium is sourced from PubChem (CID 58106100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).