(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol

C34H70N2O21 — CID 159907747

About (2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol

(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol (PubChem CID 159907747) has the molecular formula C34H70N2O21 and a molecular weight of 842.93 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol
• PubChem CID: 159907747
• Molecular Formula: C34H70N2O21
• Molecular Weight: 842.93 g/mol
• Exact Mass: 842.45
• IUPAC Name: (2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol
• SMILES: CCCN.CCCNC[C@H](O)[C@@H](O)[C@H](COC[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.OC[C@H]1O[C@H](COC[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C17H35NO10.C14H26O11.C3H9N/c1-2-3-18-4-10(21)14(23)9(11(22)5-19)7-27-8-13-16(25)17(26)15(24)12(6-20)28-13;15-1-6-5(9(17)13(21)14(22)25-6)3-23-4-8-11(19)12(20)10(18)7(2-16)24-8;1-2-3-4/h9-26H,2-8H2,1H3;5-22H,1-4H2;2-4H2,1H3/t9-,10+,11-,12-,13-,14+,15-,16+,17+;5-,6-,7-,8-,9+,10-,11+,12+,13-,14-;/m11./s1
• InChIKey: NWUFSATXKHFKNQ-JYMZTNJJSA-N
• XLogP: -9.22
• TPSA: 407.88 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	842.93
LogP ≤ 5	-9.22
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol?

The IUPAC name of (2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol (CID 159907747) is (2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol.

What is the SMILES notation for (2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol?

The canonical SMILES for (2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol is CCCN.CCCNC[C@H](O)[C@@H](O)[C@H](COC[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.OC[C@H]1O[C@H](COC[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol?

The InChIKey is NWUFSATXKHFKNQ-JYMZTNJJSA-N. The full InChI is InChI=1S/C17H35NO10.C14H26O11.C3H9N/c1-2-3-18-4-10(21)14(23)9(11(22)5-19)7-27-8-13-16(25)17(26)15(24)12(6-20)28-13;15-1-6-5(9(17)13(21)14(22)25-6)3-23-4-8-11(19)12(20)10(18)7(2-16)24-8;1-2-3-4/h9-26H,2-8H2,1H3;5-22H,1-4H2;2-4H2,1H3/t9-,10+,11-,12-,13-,14+,15-,16+,17+;5-,6-,7-,8-,9+,10-,11+,12+,13-,14-;/m11./s1.

What are the key properties of (2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol?

(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol has a molecular weight of 842.93 g/mol, XLogP of -9.22, 20 rotatable bonds, 18 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6S)-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol;propan-1-amine;(2S,3R,4S,5S)-6-(propylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexane-1,2,4,5-tetrol is sourced from PubChem (CID 159907747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).