(2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol

C7H15NO5 — CID 174907140

IUPAC(2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol
SMILESCN[C@]1(O)[C@@H](O)CO[C@H](OC)[C@@H]1O
InChIInChI=1S/C7H15NO5/c1-8-7(11)4(9)3-13-6(12-2)5(7)10/h4-6,8-11H,3H2,1-2H3/t4-,5-,6-,7-/m0/s1
InChIKeyWLMSMCDCFXUBIA-AXMZGBSTSA-N
MW193.20 g/mol
LogP-2.38
Rot. Bonds2

About (2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol

(2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol (PubChem CID 174907140) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol
PubChem CID174907140
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol
SMILESCN[C@]1(O)[C@@H](O)CO[C@H](OC)[C@@H]1O
InChIInChI=1S/C7H15NO5/c1-8-7(11)4(9)3-13-6(12-2)5(7)10/h4-6,8-11H,3H2,1-2H3/t4-,5-,6-,7-/m0/s1
InChIKeyWLMSMCDCFXUBIA-AXMZGBSTSA-N
XLogP-2.38
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(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
(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386
(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol
CID 58510378
(2S,3S,4aR,7S,8S,8aR)-2,3,7-trimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-8-ol
CID 10707711
(3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 15714977
3,5-diamino-2-methoxyoxan-4-ol
CID 74817913
(4E)-2-methoxy-4-methoxyiminooxane-3,5-diol
CID 14483110
(2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol
CID 163627275
dimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate
CID 69289154
4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
CID 54169558

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol (CID 174907140) is (2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol is CN[C@]1(O)[C@@H](O)CO[C@H](OC)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol?
The InChIKey is WLMSMCDCFXUBIA-AXMZGBSTSA-N. The full InChI is InChI=1S/C7H15NO5/c1-8-7(11)4(9)3-13-6(12-2)5(7)10/h4-6,8-11H,3H2,1-2H3/t4-,5-,6-,7-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol?
(2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol has a molecular weight of 193.20 g/mol, XLogP of -2.38, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-methoxy-4-(methylamino)oxane-3,4,5-triol is sourced from PubChem (CID 174907140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).