(2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

C12H22O11 — CID 87642220

IUPAC(2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
SMILES[2H]OC([2H])([2H])[C@@]1([2H])O[C@@]([2H])(O[C@]2([2H])[C@@H](CO)O[C@H](O)[C@]([2H])(O[2H])[C@@]2([2H])O[2H])[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1/i1D2,3D,7D,8D,10D,12D,13D,17D,18D
InChIKeyGUBGYTABKSRVRQ-MORPFTFYSA-N
MW352.36 g/mol
LogP-5.40
Rot. Bonds7

About (2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

(2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol (PubChem CID 87642220) has the molecular formula C12H22O11 and a molecular weight of 352.36 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
PubChem CID87642220
Molecular FormulaC12H22O11
Molecular Weight352.36 g/mol
Exact Mass352.18
IUPAC Name(2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
SMILES[2H]OC([2H])([2H])[C@@]1([2H])O[C@@]([2H])(O[C@]2([2H])[C@@H](CO)O[C@H](O)[C@]([2H])(O[2H])[C@@]2([2H])O[2H])[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1/i1D2,3D,7D,8D,10D,12D,13D,17D,18D
InChIKeyGUBGYTABKSRVRQ-MORPFTFYSA-N
XLogP-5.40
TPSA189.53 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500352.36
LogP ≤ 5-5.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol (CID 87642220) is (2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol is [2H]OC([2H])([2H])[C@@]1([2H])O[C@@]([2H])(O[C@]2([2H])[C@@H](CO)O[C@H](O)[C@]([2H])(O[2H])[C@@]2([2H])O[2H])[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol?
The InChIKey is GUBGYTABKSRVRQ-MORPFTFYSA-N. The full InChI is InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1/i1D2,3D,7D,8D,10D,12D,13D,17D,18D.
What are the key properties of (2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol?
(2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol has a molecular weight of 352.36 g/mol, XLogP of -5.40, 7 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2,6-dideuterio-2-[dideuterio(deuteriooxy)methyl]-6-[(2R,3S,4R,5R,6S)-3,4,5-trideuterio-4,5-dideuteriooxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 87642220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).