(2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal

C18H32O13 — CID 121434178

About (2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal

(2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal (PubChem CID 121434178) has the molecular formula C18H32O13 and a molecular weight of 456.44 g/mol. Its IUPAC name is (2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal.

Molecular Properties

• Compound Name: (2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal
• PubChem CID: 121434178
• Molecular Formula: C18H32O13
• Molecular Weight: 456.44 g/mol
• Exact Mass: 456.18
• IUPAC Name: (2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal
• SMILES: C[C@H](O)[C@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@@H](O)[C@@H](O)C=O
• InChI: InChI=1S/C18H32O13/c1-5(20)15(11(24)8(21)4-19)30-18-16(13(26)10(23)7(3)29-18)31-17-14(27)12(25)9(22)6(2)28-17/h4-18,20-27H,1-3H3/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14+,15-,16+,17-,18-/m0/s1
• InChIKey: ZOUDTKRGTPFRML-UCYWYQAMSA-N
• XLogP: -4.65
• TPSA: 215.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	456.44
LogP ≤ 5	-4.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal?

The IUPAC name of (2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal (CID 121434178) is (2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal.

What is the SMILES notation for (2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal?

The canonical SMILES for (2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal is C[C@H](O)[C@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@@H](O)[C@@H](O)C=O.

What is the InChIKey of (2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal?

The InChIKey is ZOUDTKRGTPFRML-UCYWYQAMSA-N. The full InChI is InChI=1S/C18H32O13/c1-5(20)15(11(24)8(21)4-19)30-18-16(13(26)10(23)7(3)29-18)31-17-14(27)12(25)9(22)6(2)28-17/h4-18,20-27H,1-3H3/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14+,15-,16+,17-,18-/m0/s1.

What are the key properties of (2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal?

(2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal has a molecular weight of 456.44 g/mol, XLogP of -4.65, 8 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5S)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyhexanal is sourced from PubChem (CID 121434178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).