(3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol

C11H23NO10 — CID 141024747

IUPAC(3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol
SMILESCON(OC)[C@@]1(OC)C(O)(OC)O[C@H](CO)[C@@H](O)[C@@]1(O)OC
InChIInChI=1S/C11H23NO10/c1-17-9(15)8(14)7(6-13)22-11(16,19-3)10(9,18-2)12(20-4)21-5/h7-8,13-16H,6H2,1-5H3/t7-,8-,9-,10+,11?/m1/s1
InChIKeyDJQSEVMSYQWIMK-UZJMVKBUSA-N
MW329.30 g/mol
LogP-2.87
Rot. Bonds7

About (3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol

(3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol (PubChem CID 141024747) has the molecular formula C11H23NO10 and a molecular weight of 329.30 g/mol. Its IUPAC name is (3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol.

Molecular Properties

Compound Name(3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol
PubChem CID141024747
Molecular FormulaC11H23NO10
Molecular Weight329.30 g/mol
Exact Mass329.13
IUPAC Name(3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol
SMILESCON(OC)[C@@]1(OC)C(O)(OC)O[C@H](CO)[C@@H](O)[C@@]1(O)OC
InChIInChI=1S/C11H23NO10/c1-17-9(15)8(14)7(6-13)22-11(16,19-3)10(9,18-2)12(20-4)21-5/h7-8,13-16H,6H2,1-5H3/t7-,8-,9-,10+,11?/m1/s1
InChIKeyDJQSEVMSYQWIMK-UZJMVKBUSA-N
XLogP-2.87
TPSA139.54 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.30
LogP ≤ 5-2.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-methoxy-2,3,4-trimethyloxane-2,4,5-triol
CID 68985640
[(2S,3S,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-2,3-bis(2-methylprop-2-enoyloxy)oxan-4-yl] 2-methylprop-2-enoate
CID 140582376
(3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol
CID 175505706
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
2-amino-9-[(2R,3S,4R,5R)-2-ethoxy-3,4-dihydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one
CID 142544203
1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methoxy-2-trityloxolan-2-yl]pyrimidine-2,4-dione
CID 154452202
(2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 89336790
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 57317456
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol
CID 22174205
(2S,3R,4S,5R)-2-(chloromethyl)-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 130847553
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol?
The IUPAC name of (3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol (CID 141024747) is (3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol.
What is the SMILES notation for (3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol?
The canonical SMILES for (3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol is CON(OC)[C@@]1(OC)C(O)(OC)O[C@H](CO)[C@@H](O)[C@@]1(O)OC.
What is the InChIKey of (3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol?
The InChIKey is DJQSEVMSYQWIMK-UZJMVKBUSA-N. The full InChI is InChI=1S/C11H23NO10/c1-17-9(15)8(14)7(6-13)22-11(16,19-3)10(9,18-2)12(20-4)21-5/h7-8,13-16H,6H2,1-5H3/t7-,8-,9-,10+,11?/m1/s1.
What are the key properties of (3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol?
(3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol has a molecular weight of 329.30 g/mol, XLogP of -2.87, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R,6R)-3-(dimethoxyamino)-6-(hydroxymethyl)-2,3,4-trimethoxyoxane-2,4,5-triol is sourced from PubChem (CID 141024747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).