(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-2-(6-aminohexoxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C30H55NO17 — CID 155926106

About (2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-2-(6-aminohexoxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-2-(6-aminohexoxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol (PubChem CID 155926106) has the molecular formula C30H55NO17 and a molecular weight of 701.76 g/mol. Its IUPAC name is (2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-2-(6-aminohexoxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-2-(6-aminohexoxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• PubChem CID: 155926106
• Molecular Formula: C30H55NO17
• Molecular Weight: 701.76 g/mol
• Exact Mass: 701.35
• IUPAC Name: (2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-2-(6-aminohexoxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3[C@H](O[C@@H]4[C@H](OCCCCCCN)O[C@@H](C)[C@@H](O)[C@H]4O)O[C@@H](C)[C@@H](O)[C@H]3O)O[C@@H](C)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C30H55NO17/c1-11-15(32)19(36)23(40)27(42-11)46-25-21(38)17(34)13(3)44-29(25)48-26-22(39)18(35)14(4)45-30(26)47-24-20(37)16(33)12(2)43-28(24)41-10-8-6-5-7-9-31/h11-30,32-40H,5-10,31H2,1-4H3/t11-,12-,13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26-,27-,28+,29-,30-/m0/s1
• InChIKey: PAJJCXCOFBMNEK-VMGRYRGFSA-N
• XLogP: -4.09
• TPSA: 281.93 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	701.76
LogP ≤ 5	-4.09
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-2-(6-aminohexoxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CID 155926106) is (2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-2-(6-aminohexoxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

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

The canonical SMILES for (2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-2-(6-aminohexoxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol is C[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]3[C@H](O[C@@H]4[C@H](OCCCCCCN)O[C@@H](C)[C@@H](O)[C@H]4O)O[C@@H](C)[C@@H](O)[C@H]3O)O[C@@H](C)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O.

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

The InChIKey is PAJJCXCOFBMNEK-VMGRYRGFSA-N. The full InChI is InChI=1S/C30H55NO17/c1-11-15(32)19(36)23(40)27(42-11)46-25-21(38)17(34)13(3)44-29(25)48-26-22(39)18(35)14(4)45-30(26)47-24-20(37)16(33)12(2)43-28(24)41-10-8-6-5-7-9-31/h11-30,32-40H,5-10,31H2,1-4H3/t11-,12-,13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26-,27-,28+,29-,30-/m0/s1.

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

(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-2-(6-aminohexoxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol has a molecular weight of 701.76 g/mol, XLogP of -4.09, 13 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2S,3S,4R,5S,6S)-2-[(2R,3S,4R,5S,6S)-2-(6-aminohexoxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 155926106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).