3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde

C33H61N5O23 — CID 167712723

IUPAC3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde
SMILESCNC1C(C=O)OC(O)C(O)C1O.CNC1C(C=O)OC(O)C1O.CNC1C(O)C(O)OC(C=O)C1O.CNC1C(O)OC(C=O)C(O)C1O.CNC1C(O)OC(C=O)C1O
InChIInChI=1S/3C7H13NO5.2C6H11NO4/c1-8-4-6(11)5(10)3(2-9)13-7(4)12;1-8-4-5(10)3(2-9)13-7(12)6(4)11;1-8-4-3(2-9)13-7(12)6(11)5(4)10;1-7-4-5(9)3(2-8)11-6(4)10;1-7-4-3(2-8)11-6(10)5(4)9/h3*2-8,10-12H,1H3;2*2-7,9-10H,1H3
InChIKeyOOJPJKXIDLRVSQ-UHFFFAOYSA-N
MW895.86 g/mol
LogP-12.66
Rot. Bonds10

About 3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde

3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde (PubChem CID 167712723) has the molecular formula C33H61N5O23 and a molecular weight of 895.86 g/mol. Its IUPAC name is 3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde.

Molecular Properties

Compound Name3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde
PubChem CID167712723
Molecular FormulaC33H61N5O23
Molecular Weight895.86 g/mol
Exact Mass895.38
IUPAC Name3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde
SMILESCNC1C(C=O)OC(O)C(O)C1O.CNC1C(C=O)OC(O)C1O.CNC1C(O)C(O)OC(C=O)C1O.CNC1C(O)OC(C=O)C(O)C1O.CNC1C(O)OC(C=O)C1O
InChIInChI=1S/3C7H13NO5.2C6H11NO4/c1-8-4-6(11)5(10)3(2-9)13-7(4)12;1-8-4-5(10)3(2-9)13-7(12)6(4)11;1-8-4-3(2-9)13-7(12)6(11)5(4)10;1-7-4-5(9)3(2-8)11-6(4)10;1-7-4-3(2-8)11-6(10)5(4)9/h3*2-8,10-12H,1H3;2*2-7,9-10H,1H3
InChIKeyOOJPJKXIDLRVSQ-UHFFFAOYSA-N
XLogP-12.66
TPSA454.64 Ų
H-Bond Donors18
H-Bond Acceptors28
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500895.86
LogP ≤ 5-12.66
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde?
The IUPAC name of 3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde (CID 167712723) is 3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde.
What is the SMILES notation for 3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde?
The canonical SMILES for 3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde is CNC1C(C=O)OC(O)C(O)C1O.CNC1C(C=O)OC(O)C1O.CNC1C(O)C(O)OC(C=O)C1O.CNC1C(O)OC(C=O)C(O)C1O.CNC1C(O)OC(C=O)C1O.
What is the InChIKey of 3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde?
The InChIKey is OOJPJKXIDLRVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H13NO5.2C6H11NO4/c1-8-4-6(11)5(10)3(2-9)13-7(4)12;1-8-4-5(10)3(2-9)13-7(12)6(4)11;1-8-4-3(2-9)13-7(12)6(11)5(4)10;1-7-4-5(9)3(2-8)11-6(4)10;1-7-4-3(2-8)11-6(10)5(4)9/h3*2-8,10-12H,1H3;2*2-7,9-10H,1H3.
What are the key properties of 3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde?
3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde has a molecular weight of 895.86 g/mol, XLogP of -12.66, 10 rotatable bonds, 18 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde is sourced from PubChem (CID 167712723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).