6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium

C17H28NO10Y- — CID 59089842

IUPAC6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium
SMILESCOC1C(OC2C(O)C(C)OC(C)C2NC(C)=O)OC(C(=O)[O-])C(OC)C1O.[Y]
InChIInChI=1S/C17H29NO10.Y/c1-6-9(18-8(3)19)12(10(20)7(2)26-6)27-17-14(25-5)11(21)13(24-4)15(28-17)16(22)23;/h6-7,9-15,17,20-21H,1-5H3,(H,18,19)(H,22,23);/p-1
InChIKeyILEYMPWBWROFGK-UHFFFAOYSA-M
MW495.31 g/mol
LogP-3.09
Rot. Bonds6

About 6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium

6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium (PubChem CID 59089842) has the molecular formula C17H28NO10Y- and a molecular weight of 495.31 g/mol. Its IUPAC name is 6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium.

Molecular Properties

Compound Name6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium
PubChem CID59089842
Molecular FormulaC17H28NO10Y-
Molecular Weight495.31 g/mol
Exact Mass495.08
IUPAC Name6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium
SMILESCOC1C(OC2C(O)C(C)OC(C)C2NC(C)=O)OC(C(=O)[O-])C(OC)C1O.[Y]
InChIInChI=1S/C17H29NO10.Y/c1-6-9(18-8(3)19)12(10(20)7(2)26-6)27-17-14(25-5)11(21)13(24-4)15(28-17)16(22)23;/h6-7,9-15,17,20-21H,1-5H3,(H,18,19)(H,22,23);/p-1
InChIKeyILEYMPWBWROFGK-UHFFFAOYSA-M
XLogP-3.09
TPSA155.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.31
LogP ≤ 5-3.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium with MolForge

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Related Compounds

N-[(2S,4R,5R)-4-[(2S,5S,6S)-6-acetyl-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 59862202
6-[(6R)-5-acetamido-2-[2-[(1S)-1-carboxyethyl]pentanoyloxymethyl]-3-hydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate
CID 140598022
5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate
CID 59533637
(2S,3S,4R,5S,6R)-5-acetamido-6-[(2S,3S,4S,5R,6S)-3-acetamido-2-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-2-methoxy-6-methyloxan-4-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-3-acetyloxy-4-methoxyoxane-2-carboxylic acid
CID 122404185
N-[(2S,3R,5S)-4-[(2R,5S)-6-[[[(3S,4R,6R)-6-[(3S,4R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carbonyl]amino]carbamoyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 168756732
sodium (3S)-3-[(2S,4R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxane-2-carboxylate
CID 59435948
6-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxy-N,N-dimethyloxane-2-carboxamide
CID 21363447
N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide
CID 91856217
disodium;(2R,3S,4S,5R,6R)-4-hydroxy-3,6-dimethoxy-5-sulfonatooxyoxane-2-carboxylate
CID 102278158
calcium (2S,3S,4R,5S,6R)-3-[(2R,3S,4R,5S,6R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylate
CID 160967529
disodium;(3S,4S,6R)-6-[(2S,4R,5S)-3-acetamido-5-hydroxy-2-methoxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
CID 140602213
6-[3-acetamido-2-[6-[3-acetamido-5-hydroxy-2-methyl-6-(sulfooxymethyl)oxan-4-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxyoxan-3-yl]oxy-5-hydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-4-hydroxy-3-methoxy-5-sulfooxyoxane-2-carboxylic acid
CID 154627441

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium?
The IUPAC name of 6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium (CID 59089842) is 6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium.
What is the SMILES notation for 6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium?
The canonical SMILES for 6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium is COC1C(OC2C(O)C(C)OC(C)C2NC(C)=O)OC(C(=O)[O-])C(OC)C1O.[Y].
What is the InChIKey of 6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium?
The InChIKey is ILEYMPWBWROFGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H29NO10.Y/c1-6-9(18-8(3)19)12(10(20)7(2)26-6)27-17-14(25-5)11(21)13(24-4)15(28-17)16(22)23;/h6-7,9-15,17,20-21H,1-5H3,(H,18,19)(H,22,23);/p-1.
What are the key properties of 6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium?
6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium has a molecular weight of 495.31 g/mol, XLogP of -3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium is sourced from PubChem (CID 59089842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).