(2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol

C29H55NO19 — CID 90338921

About (2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol

(2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol (PubChem CID 90338921) has the molecular formula C29H55NO19 and a molecular weight of 721.75 g/mol. Its IUPAC name is (2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol.

Molecular Properties

• Compound Name: (2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol
• PubChem CID: 90338921
• Molecular Formula: C29H55NO19
• Molecular Weight: 721.75 g/mol
• Exact Mass: 721.34
• IUPAC Name: (2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol
• SMILES: CC1OC(COC2OC(COCCCNC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(C)C(O)C2O)C1O
• InChI: InChI=1S/C29H55NO19/c1-11-15(8-32)47-29(25(42)18(11)35)49-27-19(36)12(2)46-17(23(27)40)10-45-28-26(43)24(41)22(39)16(48-28)9-44-5-3-4-30-6-13(33)20(37)21(38)14(34)7-31/h11-43H,3-10H2,1-2H3/t11?,12?,13-,14-,15?,16?,17?,18?,19?,20-,21+,22?,23?,24?,25?,26?,27?,28?,29?/m1/s1
• InChIKey: FLKMGQLOULJJTA-ICHVHYPLSA-N
• XLogP: -7.79
• TPSA: 330.40 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	721.75
LogP ≤ 5	-7.79
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol?

The IUPAC name of (2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol (CID 90338921) is (2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol.

What is the SMILES notation for (2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol?

The canonical SMILES for (2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol is CC1OC(COC2OC(COCCCNC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(C)C(O)C2O)C1O.

What is the InChIKey of (2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol?

The InChIKey is FLKMGQLOULJJTA-ICHVHYPLSA-N. The full InChI is InChI=1S/C29H55NO19/c1-11-15(8-32)47-29(25(42)18(11)35)49-27-19(36)12(2)46-17(23(27)40)10-45-28-26(43)24(41)22(39)16(48-28)9-44-5-3-4-30-6-13(33)20(37)21(38)14(34)7-31/h11-43H,3-10H2,1-2H3/t11?,12?,13-,14-,15?,16?,17?,18?,19?,20-,21+,22?,23?,24?,25?,26?,27?,28?,29?/m1/s1.

What are the key properties of (2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol?

(2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol has a molecular weight of 721.75 g/mol, XLogP of -7.79, 18 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R)-6-[3-[[6-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]propylamino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 90338921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).