(4E)-2-methoxy-4-methoxyiminooxane-3,5-diol

C7H13NO5 — CID 14483110

IUPAC(4E)-2-methoxy-4-methoxyiminooxane-3,5-diol
SMILESCO/N=C1\C(O)COC(OC)C1O
InChIInChI=1S/C7H13NO5/c1-11-7-6(10)5(8-12-2)4(9)3-13-7/h4,6-7,9-10H,3H2,1-2H3/b8-5+
InChIKeyGXMQZVLJDFCZSB-VMPITWQZSA-N
MW191.18 g/mol
LogP-1.29
Rot. Bonds2

About (4E)-2-methoxy-4-methoxyiminooxane-3,5-diol

(4E)-2-methoxy-4-methoxyiminooxane-3,5-diol (PubChem CID 14483110) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is (4E)-2-methoxy-4-methoxyiminooxane-3,5-diol.

Molecular Properties

Compound Name(4E)-2-methoxy-4-methoxyiminooxane-3,5-diol
PubChem CID14483110
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(4E)-2-methoxy-4-methoxyiminooxane-3,5-diol
SMILESCO/N=C1\C(O)COC(OC)C1O
InChIInChI=1S/C7H13NO5/c1-11-7-6(10)5(8-12-2)4(9)3-13-7/h4,6-7,9-10H,3H2,1-2H3/b8-5+
InChIKeyGXMQZVLJDFCZSB-VMPITWQZSA-N
XLogP-1.29
TPSA80.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386
(3R,4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-ol
CID 90089730
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol
CID 102351803
(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol
CID 58510378
(3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 15714977
3,5-diamino-2-methoxyoxan-4-ol
CID 74817913
(1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane
CID 55299693
(2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol
CID 174907140
S-[(3R,4S,6S)-4,5-dihydroxy-6-methoxyoxan-3-yl] ethanethioate
CID 174070877

Frequently Asked Questions

What is the IUPAC name of (4E)-2-methoxy-4-methoxyiminooxane-3,5-diol?
The IUPAC name of (4E)-2-methoxy-4-methoxyiminooxane-3,5-diol (CID 14483110) is (4E)-2-methoxy-4-methoxyiminooxane-3,5-diol.
What is the SMILES notation for (4E)-2-methoxy-4-methoxyiminooxane-3,5-diol?
The canonical SMILES for (4E)-2-methoxy-4-methoxyiminooxane-3,5-diol is CO/N=C1\C(O)COC(OC)C1O.
What is the InChIKey of (4E)-2-methoxy-4-methoxyiminooxane-3,5-diol?
The InChIKey is GXMQZVLJDFCZSB-VMPITWQZSA-N. The full InChI is InChI=1S/C7H13NO5/c1-11-7-6(10)5(8-12-2)4(9)3-13-7/h4,6-7,9-10H,3H2,1-2H3/b8-5+.
What are the key properties of (4E)-2-methoxy-4-methoxyiminooxane-3,5-diol?
(4E)-2-methoxy-4-methoxyiminooxane-3,5-diol has a molecular weight of 191.18 g/mol, XLogP of -1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methoxy-4-methoxyiminooxane-3,5-diol is sourced from PubChem (CID 14483110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).