(2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C12H22O11 — CID 140747075

About (2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 140747075) has the molecular formula C12H22O11 and a molecular weight of 344.31 g/mol. Its IUPAC name is (2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 140747075
• Molecular Formula: C12H22O11
• Molecular Weight: 344.31 g/mol
• Exact Mass: 344.13
• IUPAC Name: (2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: [2H][C@@]1(O[C@]2([2H])OC(CO)[C@@H](O)[C@H](O)C2O)OC(CO)[C@@H](O)C(O)C1O
• InChI: InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3?,4?,5-,6-,7+,8?,9?,10?,11+,12+/m1/s1/i11D,12D
• InChIKey: HDTRYLNUVZCQOY-PBJCOXQYSA-N
• XLogP: -5.40
• TPSA: 189.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	344.31
LogP ≤ 5	-5.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 140747075) is (2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is [2H][C@@]1(O[C@]2([2H])OC(CO)[C@@H](O)[C@H](O)C2O)OC(CO)[C@@H](O)C(O)C1O.

What is the InChIKey of (2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is HDTRYLNUVZCQOY-PBJCOXQYSA-N. The full InChI is InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3?,4?,5-,6-,7+,8?,9?,10?,11+,12+/m1/s1/i11D,12D.

What are the key properties of (2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

(2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 344.31 g/mol, XLogP of -5.40, 4 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 140747075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).