(2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C26H45NO18 — CID 163032920

About (2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 163032920) has the molecular formula C26H45NO18 and a molecular weight of 659.63 g/mol. Its IUPAC name is (2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 163032920
• Molecular Formula: C26H45NO18
• Molecular Weight: 659.63 g/mol
• Exact Mass: 659.26
• IUPAC Name: (2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OC[C@H]1C[C@@H](N[C@H]2C=C(CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C26H45NO18/c28-3-7-1-9(15(33)21(39)24(7)45-26-23(41)20(38)17(35)12(5-30)44-26)27-10-2-8(13(31)18(36)14(10)32)6-42-25-22(40)19(37)16(34)11(4-29)43-25/h2,7,9-41H,1,3-6H2/t7-,9-,10+,11+,12+,13+,14-,15+,16+,17+,18-,19-,20-,21-,22+,23+,24-,25+,26-/m1/s1
• InChIKey: IUZLKGXGTJOZDV-BYICLNJYSA-N
• XLogP: -8.93
• TPSA: 332.17 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	659.63
LogP ≤ 5	-8.93
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 163032920) is (2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1C[C@@H](N[C@H]2C=C(CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is IUZLKGXGTJOZDV-BYICLNJYSA-N. The full InChI is InChI=1S/C26H45NO18/c28-3-7-1-9(15(33)21(39)24(7)45-26-23(41)20(38)17(35)12(5-30)44-26)27-10-2-8(13(31)18(36)14(10)32)6-42-25-22(40)19(37)16(34)11(4-29)43-25/h2,7,9-41H,1,3-6H2/t7-,9-,10+,11+,12+,13+,14-,15+,16+,17+,18-,19-,20-,21-,22+,23+,24-,25+,26-/m1/s1.

What are the key properties of (2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 659.63 g/mol, XLogP of -8.93, 10 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4R,5R,6S)-2-[[(3S,4R,5R,6S)-3-[[(1R,2S,3R,4R,5R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]amino]-4,5,6-trihydroxycyclohexen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 163032920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).