(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol

C18H34F2N4O10 — CID 44518461

About (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol (PubChem CID 44518461) has the molecular formula C18H34F2N4O10 and a molecular weight of 504.48 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol
• PubChem CID: 44518461
• Molecular Formula: C18H34F2N4O10
• Molecular Weight: 504.48 g/mol
• Exact Mass: 504.22
• IUPAC Name: (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol
• SMILES: NC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](C(F)F)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C18H34F2N4O10/c19-16(20)15-8(26)6(24)9(27)17(34-15)32-13-3(22)1-4(23)14(12(13)30)33-18-11(29)10(28)7(25)5(2-21)31-18/h3-18,25-30H,1-2,21-24H2/t3-,4+,5-,6+,7-,8+,9-,10+,11-,12-,13+,14-,15+,17+,18+/m1/s1
• InChIKey: YIYFPTVPXKESOS-XEIVTICBSA-N
• XLogP: -6.02
• TPSA: 262.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	504.48
LogP ≤ 5	-6.02
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol?

The IUPAC name of (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol (CID 44518461) is (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol.

What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol?

The canonical SMILES for (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol is NC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](C(F)F)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol?

The InChIKey is YIYFPTVPXKESOS-XEIVTICBSA-N. The full InChI is InChI=1S/C18H34F2N4O10/c19-16(20)15-8(26)6(24)9(27)17(34-15)32-13-3(22)1-4(23)14(12(13)30)33-18-11(29)10(28)7(25)5(2-21)31-18/h3-18,25-30H,1-2,21-24H2/t3-,4+,5-,6+,7-,8+,9-,10+,11-,12-,13+,14-,15+,17+,18+/m1/s1.

What are the key properties of (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol?

(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol has a molecular weight of 504.48 g/mol, XLogP of -6.02, 6 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6S)-4-amino-6-(difluoromethyl)-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 44518461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).