N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium

C21H39N3O10Y — CID 168847418

IUPACN-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium
SMILESCOC[C@H]1C[C@@H](NC(=O)NCCCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](OC)C1O.[Y]
InChIInChI=1S/C21H39N3O10.Y/c1-11(26)23-15-18(29)17(28)14(9-25)34-20(15)33-7-5-4-6-22-21(30)24-13-8-12(10-31-2)16(27)19(13)32-3;/h12-20,25,27-29H,4-10H2,1-3H3,(H,23,26)(H2,22,24,30);/t12-,13-,14-,15-,16?,17+,18-,19-,20-;/m1./s1
InChIKeyBRMCOHNXILMACH-BZRRLQCISA-N
MW582.46 g/mol
LogP-2.57
Rot. Bonds12

About N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium

N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium (PubChem CID 168847418) has the molecular formula C21H39N3O10Y and a molecular weight of 582.46 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium
PubChem CID168847418
Molecular FormulaC21H39N3O10Y
Molecular Weight582.46 g/mol
Exact Mass582.17
IUPAC NameN-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium
SMILESCOC[C@H]1C[C@@H](NC(=O)NCCCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](OC)C1O.[Y]
InChIInChI=1S/C21H39N3O10.Y/c1-11(26)23-15-18(29)17(28)14(9-25)34-20(15)33-7-5-4-6-22-21(30)24-13-8-12(10-31-2)16(27)19(13)32-3;/h12-20,25,27-29H,4-10H2,1-3H3,(H,23,26)(H2,22,24,30);/t12-,13-,14-,15-,16?,17+,18-,19-,20-;/m1./s1
InChIKeyBRMCOHNXILMACH-BZRRLQCISA-N
XLogP-2.57
TPSA188.07 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.46
LogP ≤ 5-2.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium with MolForge

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Related Compounds

[(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamothioylamino]butoxy]oxan-2-yl]methyl acetate;yttrium
CID 168847517
N-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-pentoxyoxan-3-yl]acetamide
CID 7155080
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-octadecoxyoxan-3-yl]acetamide
CID 22465082
N-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]acetamide
CID 125463198
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium
CID 159713501
N-[3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide
CID 101205167
CID 174092117
CID 174092117
N-[(2R,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-(5-sulfanylpentoxy)oxan-3-yl]acetamide
CID 88953091
N-[(2R,3R,4R,5S,6R)-2-(5-aminopentoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 101053297
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexoxy]oxan-3-yl]acetamide
CID 134259939
5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-(propanoylamino)propyl]pentanamide
CID 155804468
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
CID 54378063

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium?
The IUPAC name of N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium (CID 168847418) is N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium.
What is the SMILES notation for N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium?
The canonical SMILES for N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium is COC[C@H]1C[C@@H](NC(=O)NCCCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](OC)C1O.[Y].
What is the InChIKey of N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium?
The InChIKey is BRMCOHNXILMACH-BZRRLQCISA-N. The full InChI is InChI=1S/C21H39N3O10.Y/c1-11(26)23-15-18(29)17(28)14(9-25)34-20(15)33-7-5-4-6-22-21(30)24-13-8-12(10-31-2)16(27)19(13)32-3;/h12-20,25,27-29H,4-10H2,1-3H3,(H,23,26)(H2,22,24,30);/t12-,13-,14-,15-,16?,17+,18-,19-,20-;/m1./s1.
What are the key properties of N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium?
N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium has a molecular weight of 582.46 g/mol, XLogP of -2.57, 12 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-[4-[[(1R,2R,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]carbamoylamino]butoxy]-6-(hydroxymethyl)oxan-3-yl]acetamide;yttrium is sourced from PubChem (CID 168847418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).