(3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium

C34H57N2O19Y-3 — CID 59481133

About (3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium

(3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium (PubChem CID 59481133) has the molecular formula C34H57N2O19Y-3 and a molecular weight of 886.73 g/mol. Its IUPAC name is (3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium.

Molecular Properties

• Compound Name: (3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium
• PubChem CID: 59481133
• Molecular Formula: C34H57N2O19Y-3
• Molecular Weight: 886.73 g/mol
• Exact Mass: 886.26
• IUPAC Name: (3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium
• SMILES: CNC1[C@@H](O)C(COC[C@@H]2OC(C(=O)[O-])[C@H](OC)[C@H](O)C2O)C(CO)O[C@H]1CO[C@H]1C(C(=O)[O-])O[C@@H](COC[C@H]2C(C)O[C@@H](COC)C([NH-])[C@H]2O)C(C)[C@H]1O.[Y]
• InChI: InChI=1S/C34H59N2O19.Y/c1-13-18(10-49-7-15-14(2)52-19(9-47-4)22(35)25(15)39)54-32(34(45)46)30(24(13)38)51-12-20-23(36-3)26(40)16(17(6-37)53-20)8-50-11-21-27(41)28(42)29(48-5)31(55-21)33(43)44;/h13-32,35-42H,6-12H2,1-5H3,(H,43,44)(H,45,46);/q-1;/p-2/t13?,14?,15-,16?,17?,18-,19-,20-,21-,22?,23?,24+,25-,26-,27?,28+,29+,30+,31?,32?;/m0./s1
• InChIKey: DHUNKDYVGWZQLT-QERJAKEJSA-L
• XLogP: -6.67
• TPSA: 320.54 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	886.73
LogP ≤ 5	-6.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium?

The IUPAC name of (3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium (CID 59481133) is (3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium.

What is the SMILES notation for (3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium?

The canonical SMILES for (3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium is CNC1[C@@H](O)C(COC[C@@H]2OC(C(=O)[O-])[C@H](OC)[C@H](O)C2O)C(CO)O[C@H]1CO[C@H]1C(C(=O)[O-])O[C@@H](COC[C@H]2C(C)O[C@@H](COC)C([NH-])[C@H]2O)C(C)[C@H]1O.[Y].

What is the InChIKey of (3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium?

The InChIKey is DHUNKDYVGWZQLT-QERJAKEJSA-L. The full InChI is InChI=1S/C34H59N2O19.Y/c1-13-18(10-49-7-15-14(2)52-19(9-47-4)22(35)25(15)39)54-32(34(45)46)30(24(13)38)51-12-20-23(36-3)26(40)16(17(6-37)53-20)8-50-11-21-27(41)28(42)29(48-5)31(55-21)33(43)44;/h13-32,35-42H,6-12H2,1-5H3,(H,43,44)(H,45,46);/q-1;/p-2/t13?,14?,15-,16?,17?,18-,19-,20-,21-,22?,23?,24+,25-,26-,27?,28+,29+,30+,31?,32?;/m0./s1.

What are the key properties of (3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium?

(3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium has a molecular weight of 886.73 g/mol, XLogP of -6.67, 18 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R,6R)-6-[[(3R,4S,6R)-5-azanidyl-4-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl]methoxymethyl]-3-[[(2R,4S,5R)-5-[[(2S,4R,5R)-6-carboxylato-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]methoxy]-4-hydroxy-5-methyloxane-2-carboxylate;yttrium is sourced from PubChem (CID 59481133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).