(2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol

C19H35NO15 — CID 90276848

About (2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol

(2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol (PubChem CID 90276848) has the molecular formula C19H35NO15 and a molecular weight of 517.48 g/mol. Its IUPAC name is (2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
• PubChem CID: 90276848
• Molecular Formula: C19H35NO15
• Molecular Weight: 517.48 g/mol
• Exact Mass: 517.20
• IUPAC Name: (2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
• SMILES: CC1O[C@@H](O[C@@H]2C(O)[C@H](O[C@@H]3C(CO)O[C@H](OCN)C(O)[C@H]3O)OC(CO)[C@H]2O)[C@@H](O)C(O)[C@H]1O
• InChI: InChI=1S/C19H35NO15/c1-5-8(23)10(25)12(27)18(31-5)35-16-9(24)6(2-21)32-19(14(16)29)34-15-7(3-22)33-17(30-4-20)13(28)11(15)26/h5-19,21-29H,2-4,20H2,1H3/t5?,6?,7?,8-,9+,10?,11+,12-,13?,14?,15+,16-,17-,18-,19-/m0/s1
• InChIKey: UXPCEWTWKZOKKS-RQGKEIMFSA-N
• XLogP: -6.60
• TPSA: 263.47 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	517.48
LogP ≤ 5	-6.60
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol?

The IUPAC name of (2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol (CID 90276848) is (2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol.

What is the SMILES notation for (2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol?

The canonical SMILES for (2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol is CC1O[C@@H](O[C@@H]2C(O)[C@H](O[C@@H]3C(CO)O[C@H](OCN)C(O)[C@H]3O)OC(CO)[C@H]2O)[C@@H](O)C(O)[C@H]1O.

What is the InChIKey of (2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol?

The InChIKey is UXPCEWTWKZOKKS-RQGKEIMFSA-N. The full InChI is InChI=1S/C19H35NO15/c1-5-8(23)10(25)12(27)18(31-5)35-16-9(24)6(2-21)32-19(14(16)29)34-15-7(3-22)33-17(30-4-20)13(28)11(15)26/h5-19,21-29H,2-4,20H2,1H3/t5?,6?,7?,8-,9+,10?,11+,12-,13?,14?,15+,16-,17-,18-,19-/m0/s1.

What are the key properties of (2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol?

(2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol has a molecular weight of 517.48 g/mol, XLogP of -6.60, 8 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 90276848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).