(2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol

C10H24N2O4 — CID 102306368

IUPAC(2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol
SMILESCN(C)C[C@@H](O)[C@](O)(CN(C)C)[C@@H](O)CO
InChIInChI=1S/C10H24N2O4/c1-11(2)5-8(14)10(16,7-12(3)4)9(15)6-13/h8-9,13-16H,5-7H2,1-4H3/t8-,9+,10-/m1/s1
InChIKeyDOASUCQOYGYHIB-KXUCPTDWSA-N
MW236.31 g/mol
LogP-2.45
Rot. Bonds7

About (2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol

(2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol (PubChem CID 102306368) has the molecular formula C10H24N2O4 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol
PubChem CID102306368
Molecular FormulaC10H24N2O4
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name(2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol
SMILESCN(C)C[C@@H](O)[C@](O)(CN(C)C)[C@@H](O)CO
InChIInChI=1S/C10H24N2O4/c1-11(2)5-8(14)10(16,7-12(3)4)9(15)6-13/h8-9,13-16H,5-7H2,1-4H3/t8-,9+,10-/m1/s1
InChIKeyDOASUCQOYGYHIB-KXUCPTDWSA-N
XLogP-2.45
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 5-2.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol?
The IUPAC name of (2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol (CID 102306368) is (2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol?
The canonical SMILES for (2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol is CN(C)C[C@@H](O)[C@](O)(CN(C)C)[C@@H](O)CO.
What is the InChIKey of (2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol?
The InChIKey is DOASUCQOYGYHIB-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H24N2O4/c1-11(2)5-8(14)10(16,7-12(3)4)9(15)6-13/h8-9,13-16H,5-7H2,1-4H3/t8-,9+,10-/m1/s1.
What are the key properties of (2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol?
(2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol has a molecular weight of 236.31 g/mol, XLogP of -2.45, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-5-(dimethylamino)-3-[(dimethylamino)methyl]pentane-1,2,3,4-tetrol is sourced from PubChem (CID 102306368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).