(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

C24H34N2O14 — CID 137424679

About (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 137424679) has the molecular formula C24H34N2O14 and a molecular weight of 574.54 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
• PubChem CID: 137424679
• Molecular Formula: C24H34N2O14
• Molecular Weight: 574.54 g/mol
• Exact Mass: 574.20
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
• SMILES: CCC1(c2ccccc2)C(=O)NC(=O)NC1=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C12H12N2O3.C12H22O11/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h3-7H,2H2,1H3,(H2,13,14,15,16,17);4-11,13-20H,1-3H2/t;4-,5-,6-,7-,8+,9-,10+,11-,12+/m.1/s1
• InChIKey: BZIAZPVDHYIJKZ-XXDXYRHBSA-N
• XLogP: -4.70
• TPSA: 264.80 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	574.54
LogP ≤ 5	-4.70
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?

The IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (CID 137424679) is (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.

What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?

The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is CCC1(c2ccccc2)C(=O)NC(=O)NC1=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?

The InChIKey is BZIAZPVDHYIJKZ-XXDXYRHBSA-N. The full InChI is InChI=1S/C12H12N2O3.C12H22O11/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h3-7H,2H2,1H3,(H2,13,14,15,16,17);4-11,13-20H,1-3H2/t;4-,5-,6-,7-,8+,9-,10+,11-,12+/m.1/s1.

What are the key properties of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?

(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 574.54 g/mol, XLogP of -4.70, 7 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 137424679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).