(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol

C17H30N2O12 — CID 177489803

About (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol (PubChem CID 177489803) has the molecular formula C17H30N2O12 and a molecular weight of 454.43 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol
• PubChem CID: 177489803
• Molecular Formula: C17H30N2O12
• Molecular Weight: 454.43 g/mol
• Exact Mass: 454.18
• IUPAC Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol
• SMILES: C/C(C/C(C)=N/O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)=N\O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C17H30N2O12/c1-6(18-30-16-14(26)12(24)10(22)8(4-20)28-16)3-7(2)19-31-17-15(27)13(25)11(23)9(5-21)29-17/h8-17,20-27H,3-5H2,1-2H3/b18-6+,19-7+/t8-,9-,10+,11+,12+,13+,14-,15-,16+,17+/m1/s1
• InChIKey: CCRKGHRRTKGCTJ-VEZRAJFESA-N
• XLogP: -4.24
• TPSA: 223.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	454.43
LogP ≤ 5	-4.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol?

The IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol (CID 177489803) is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol.

What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol?

The canonical SMILES for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol is C/C(C/C(C)=N/O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)=N\O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.

What is the InChIKey of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol?

The InChIKey is CCRKGHRRTKGCTJ-VEZRAJFESA-N. The full InChI is InChI=1S/C17H30N2O12/c1-6(18-30-16-14(26)12(24)10(22)8(4-20)28-16)3-7(2)19-31-17-15(27)13(25)11(23)9(5-21)29-17/h8-17,20-27H,3-5H2,1-2H3/b18-6+,19-7+/t8-,9-,10+,11+,12+,13+,14-,15-,16+,17+/m1/s1.

What are the key properties of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol?

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol has a molecular weight of 454.43 g/mol, XLogP of -4.24, 8 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol is sourced from PubChem (CID 177489803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).