(2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

C13H24O12 — CID 171126940

About (2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

(2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (PubChem CID 171126940) has the molecular formula C13H24O12 and a molecular weight of 372.32 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

• Compound Name: (2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
• PubChem CID: 171126940
• Molecular Formula: C13H24O12
• Molecular Weight: 372.32 g/mol
• Exact Mass: 372.13
• IUPAC Name: (2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
• SMILES: CO[C@]1(O)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C13H24O12/c1-22-13(21)11(20)9(18)7(16)5(25-13)3-23-12-10(19)8(17)6(15)4(2-14)24-12/h4-12,14-21H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13+/m1/s1
• InChIKey: KBLVRLYCXLDQSX-OGVZYCONSA-N
• XLogP: -5.42
• TPSA: 198.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	372.32
LogP ≤ 5	-5.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

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 (2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The IUPAC name of (2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (CID 171126940) is (2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.

What is the SMILES notation for (2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The canonical SMILES for (2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol is CO[C@]1(O)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O.

What is the InChIKey of (2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The InChIKey is KBLVRLYCXLDQSX-OGVZYCONSA-N. The full InChI is InChI=1S/C13H24O12/c1-22-13(21)11(20)9(18)7(16)5(25-13)3-23-12-10(19)8(17)6(15)4(2-14)24-12/h4-12,14-21H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13+/m1/s1.

What are the key properties of (2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

(2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol has a molecular weight of 372.32 g/mol, XLogP of -5.42, 5 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 171126940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).