(2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde

C18H32O15 — CID 158069293

About (2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde

(2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde (PubChem CID 158069293) has the molecular formula C18H32O15 and a molecular weight of 488.44 g/mol. Its IUPAC name is (2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde.

Molecular Properties

• Compound Name: (2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde
• PubChem CID: 158069293
• Molecular Formula: C18H32O15
• Molecular Weight: 488.44 g/mol
• Exact Mass: 488.17
• IUPAC Name: (2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde
• SMILES: C=O.CC1O[C@@H](O[C@H]2C(O)[C@@H](O)C(CO)O[C@H]2O[C@@H]2COC(O)[C@@H](O)C2O)C(O)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C17H30O14.CH2O/c1-4-7(19)10(22)13(25)16(28-4)31-14-11(23)8(20)5(2-18)29-17(14)30-6-3-27-15(26)12(24)9(6)21;1-2/h4-26H,2-3H2,1H3;1H2/t4?,5?,6-,7+,8+,9?,10+,11?,12+,13?,14+,15?,16+,17+;/m1./s1
• InChIKey: FLPYHVDVFIWCOH-GWDQESAUSA-N
• XLogP: -6.09
• TPSA: 245.29 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	488.44
LogP ≤ 5	-6.09
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde?

The IUPAC name of (2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde (CID 158069293) is (2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde.

What is the SMILES notation for (2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde?

The canonical SMILES for (2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde is C=O.CC1O[C@@H](O[C@H]2C(O)[C@@H](O)C(CO)O[C@H]2O[C@@H]2COC(O)[C@@H](O)C2O)C(O)[C@@H](O)[C@H]1O.

What is the InChIKey of (2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde?

The InChIKey is FLPYHVDVFIWCOH-GWDQESAUSA-N. The full InChI is InChI=1S/C17H30O14.CH2O/c1-4-7(19)10(22)13(25)16(28-4)31-14-11(23)8(20)5(2-18)29-17(14)30-6-3-27-15(26)12(24)9(6)21;1-2/h4-26H,2-3H2,1H3;1H2/t4?,5?,6-,7+,8+,9?,10+,11?,12+,13?,14+,15?,16+,17+;/m1./s1.

What are the key properties of (2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde?

(2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde has a molecular weight of 488.44 g/mol, XLogP of -6.09, 5 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,5R)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3R,5S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;formaldehyde is sourced from PubChem (CID 158069293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).