(2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol

C12H23NO10 — CID 10359950

About (2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol

(2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol (PubChem CID 10359950) has the molecular formula C12H23NO10 and a molecular weight of 341.31 g/mol. Its IUPAC name is (2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol.

Molecular Properties

• Compound Name: (2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol
• PubChem CID: 10359950
• Molecular Formula: C12H23NO10
• Molecular Weight: 341.31 g/mol
• Exact Mass: 341.13
• IUPAC Name: (2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol
• SMILES: N[C@H]1[C@H](O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O
• InChI: InChI=1S/C12H23NO10/c13-6-7(17)4(1-14)21-11(9(6)19)23-12(3-16)10(20)8(18)5(2-15)22-12/h4-11,14-20H,1-3,13H2/t4-,5-,6-,7-,8-,9+,10+,11-,12+/m1/s1
• InChIKey: JSZCPLBDJMEHNM-KVOYSHJESA-N
• XLogP: -5.43
• TPSA: 195.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	341.31
LogP ≤ 5	-5.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol?

The IUPAC name of (2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol (CID 10359950) is (2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol.

What is the SMILES notation for (2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol?

The canonical SMILES for (2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol is N[C@H]1[C@H](O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O.

What is the InChIKey of (2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol?

The InChIKey is JSZCPLBDJMEHNM-KVOYSHJESA-N. The full InChI is InChI=1S/C12H23NO10/c13-6-7(17)4(1-14)21-11(9(6)19)23-12(3-16)10(20)8(18)5(2-15)22-12/h4-11,14-20H,1-3,13H2/t4-,5-,6-,7-,8-,9+,10+,11-,12+/m1/s1.

What are the key properties of (2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol?

(2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol has a molecular weight of 341.31 g/mol, XLogP of -5.43, 5 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5S,6R)-4-amino-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol is sourced from PubChem (CID 10359950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).