(3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol

C19H37NO15 — CID 160791218

About (3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol

(3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol (PubChem CID 160791218) has the molecular formula C19H37NO15 and a molecular weight of 519.50 g/mol. Its IUPAC name is (3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol.

Molecular Properties

• Compound Name: (3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol
• PubChem CID: 160791218
• Molecular Formula: C19H37NO15
• Molecular Weight: 519.50 g/mol
• Exact Mass: 519.22
• IUPAC Name: (3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol
• SMILES: CO.NC1[C@H](O[C@@H]2C(CO)O[C@H](O[C@@H]3C(CO)OCC(O)[C@H]3O)C(O)[C@H]2O)OC(CO)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C18H33NO14.CH4O/c19-9-12(26)11(25)6(1-20)30-17(9)32-16-8(3-22)31-18(14(28)13(16)27)33-15-7(2-21)29-4-5(23)10(15)24;1-2/h5-18,20-28H,1-4,19H2;2H,1H3/t5?,6?,7?,8?,9?,10-,11-,12-,13-,14?,15-,16-,17+,18-;/m1./s1
• InChIKey: SBVRCQKVDSPKCV-NPCMMGDBSA-N
• XLogP: -7.32
• TPSA: 274.47 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	519.50
LogP ≤ 5	-7.32
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol?

The IUPAC name of (3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol (CID 160791218) is (3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol.

What is the SMILES notation for (3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol?

The canonical SMILES for (3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol is CO.NC1[C@H](O[C@@H]2C(CO)O[C@H](O[C@@H]3C(CO)OCC(O)[C@H]3O)C(O)[C@H]2O)OC(CO)[C@@H](O)[C@@H]1O.

What is the InChIKey of (3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol?

The InChIKey is SBVRCQKVDSPKCV-NPCMMGDBSA-N. The full InChI is InChI=1S/C18H33NO14.CH4O/c19-9-12(26)11(25)6(1-20)30-17(9)32-16-8(3-22)31-18(14(28)13(16)27)33-15-7(2-21)29-4-5(23)10(15)24;1-2/h5-18,20-28H,1-4,19H2;2H,1H3/t5?,6?,7?,8?,9?,10-,11-,12-,13-,14?,15-,16-,17+,18-;/m1./s1.

What are the key properties of (3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol?

(3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol has a molecular weight of 519.50 g/mol, XLogP of -7.32, 7 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol is sourced from PubChem (CID 160791218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).