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

C23H43NO15 — CID 90277733

About (2S,3S,5R)-2-[(2S,3S,5R)-2-[(3S,4R,6S)-6-(5-aminopentoxy)-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,3S,5R)-2-[(3S,4R,6S)-6-(5-aminopentoxy)-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 90277733) has the molecular formula C23H43NO15 and a molecular weight of 573.59 g/mol. Its IUPAC name is (2S,3S,5R)-2-[(2S,3S,5R)-2-[(3S,4R,6S)-6-(5-aminopentoxy)-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,3S,5R)-2-[(3S,4R,6S)-6-(5-aminopentoxy)-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: 90277733
• Molecular Formula: C23H43NO15
• Molecular Weight: 573.59 g/mol
• Exact Mass: 573.26
• IUPAC Name: (2S,3S,5R)-2-[(2S,3S,5R)-2-[(3S,4R,6S)-6-(5-aminopentoxy)-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](OC2[C@H](O)C(CO)O[C@@H](O[C@@H]3C(CO)O[C@H](OCCCCCN)C(O)[C@H]3O)[C@H]2O)[C@@H](O)C(O)[C@H]1O
• InChI: InChI=1S/C23H43NO15/c1-9-12(27)14(29)16(31)22(35-9)39-20-13(28)10(7-25)36-23(18(20)33)38-19-11(8-26)37-21(17(32)15(19)30)34-6-4-2-3-5-24/h9-23,25-33H,2-8,24H2,1H3/t9?,10?,11?,12-,13+,14?,15+,16-,17?,18-,19+,20?,21-,22-,23-/m0/s1
• InChIKey: OOARMSVEWATTTO-DXOFIFGQSA-N
• XLogP: -5.39
• TPSA: 263.47 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	573.59
LogP ≤ 5	-5.39
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2-[(2S,3S,5R)-2-[(3S,4R,6S)-6-(5-aminopentoxy)-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,3S,5R)-2-[(3S,4R,6S)-6-(5-aminopentoxy)-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 90277733) is (2S,3S,5R)-2-[(2S,3S,5R)-2-[(3S,4R,6S)-6-(5-aminopentoxy)-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,3S,5R)-2-[(3S,4R,6S)-6-(5-aminopentoxy)-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,3S,5R)-2-[(3S,4R,6S)-6-(5-aminopentoxy)-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](OC2[C@H](O)C(CO)O[C@@H](O[C@@H]3C(CO)O[C@H](OCCCCCN)C(O)[C@H]3O)[C@H]2O)[C@@H](O)C(O)[C@H]1O.

What is the InChIKey of (2S,3S,5R)-2-[(2S,3S,5R)-2-[(3S,4R,6S)-6-(5-aminopentoxy)-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 OOARMSVEWATTTO-DXOFIFGQSA-N. The full InChI is InChI=1S/C23H43NO15/c1-9-12(27)14(29)16(31)22(35-9)39-20-13(28)10(7-25)36-23(18(20)33)38-19-11(8-26)37-21(17(32)15(19)30)34-6-4-2-3-5-24/h9-23,25-33H,2-8,24H2,1H3/t9?,10?,11?,12-,13+,14?,15+,16-,17?,18-,19+,20?,21-,22-,23-/m0/s1.

What are the key properties of (2S,3S,5R)-2-[(2S,3S,5R)-2-[(3S,4R,6S)-6-(5-aminopentoxy)-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,3S,5R)-2-[(3S,4R,6S)-6-(5-aminopentoxy)-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 573.59 g/mol, XLogP of -5.39, 12 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,3S,5R)-2-[(3S,4R,6S)-6-(5-aminopentoxy)-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 90277733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).