(2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol

C30H51N5O15 — CID 25123050

About (2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol

(2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol (PubChem CID 25123050) has the molecular formula C30H51N5O15 and a molecular weight of 721.76 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
• PubChem CID: 25123050
• Molecular Formula: C30H51N5O15
• Molecular Weight: 721.76 g/mol
• Exact Mass: 721.34
• IUPAC Name: (2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
• SMILES: NC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](OCOc4ccccc4)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@@H](N)[C@H](O)[C@H]1O
• InChI: InChI=1S/C30H51N5O15/c31-7-14-20(39)21(40)17(34)28(45-14)49-26-16(9-37)47-30(23(26)42)50-27-19(38)12(32)6-13(33)24(27)48-29-18(35)22(41)25(15(8-36)46-29)44-10-43-11-4-2-1-3-5-11/h1-5,12-30,36-42H,6-10,31-35H2/t12-,13+,14+,15+,16+,17-,18+,19+,20-,21-,22+,23+,24-,25+,26+,27-,28-,29+,30-/m0/s1
• InChIKey: RBOIGCHVBCKCSH-FHHHTERZSA-N
• XLogP: -6.80
• TPSA: 345.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	721.76
LogP ≤ 5	-6.80
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol?

The IUPAC name of (2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol (CID 25123050) is (2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol.

What is the SMILES notation for (2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol?

The canonical SMILES for (2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol is NC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](OCOc4ccccc4)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@@H](N)[C@H](O)[C@H]1O.

What is the InChIKey of (2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol?

The InChIKey is RBOIGCHVBCKCSH-FHHHTERZSA-N. The full InChI is InChI=1S/C30H51N5O15/c31-7-14-20(39)21(40)17(34)28(45-14)49-26-16(9-37)47-30(23(26)42)50-27-19(38)12(32)6-13(33)24(27)48-29-18(35)22(41)25(15(8-36)46-29)44-10-43-11-4-2-1-3-5-11/h1-5,12-30,36-42H,6-10,31-35H2/t12-,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 (2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol?

(2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol has a molecular weight of 721.76 g/mol, XLogP of -6.80, 13 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1S,2S,3R,5S,6R)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(phenoxymethoxy)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol is sourced from PubChem (CID 25123050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).