copper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol

C20H38CuN4O10-2 — CID 153490877

IUPACcopper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol
SMILESOCC1O[C@@H](N2CC[N-]CCN([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)CC[N-]CC2)C(O)[C@@H](O)[C@@H]1O.[Cu]
InChIInChI=1S/C20H38N4O10.Cu/c25-9-11-13(27)15(29)17(31)19(33-11)23-5-1-21-2-6-24(8-4-22-3-7-23)20-18(32)16(30)14(28)12(10-26)34-20;/h11-20,25-32H,1-10H2;/q-2;/t11?,12?,13-,14-,15+,16+,17?,18?,19-,20-;/m1./s1
InChIKeyLKPRVWYHSGULQD-TXZNOMAVSA-N
MW558.09 g/mol
LogP-5.05
Rot. Bonds4

About copper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol

copper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol (PubChem CID 153490877) has the molecular formula C20H38CuN4O10-2 and a molecular weight of 558.09 g/mol. Its IUPAC name is copper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Namecopper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol
PubChem CID153490877
Molecular FormulaC20H38CuN4O10-2
Molecular Weight558.09 g/mol
Exact Mass557.19
IUPAC Namecopper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol
SMILESOCC1O[C@@H](N2CC[N-]CCN([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)CC[N-]CC2)C(O)[C@@H](O)[C@@H]1O.[Cu]
InChIInChI=1S/C20H38N4O10.Cu/c25-9-11-13(27)15(29)17(31)19(33-11)23-5-1-21-2-6-24(8-4-22-3-7-23)20-18(32)16(30)14(28)12(10-26)34-20;/h11-20,25-32H,1-10H2;/q-2;/t11?,12?,13-,14-,15+,16+,17?,18?,19-,20-;/m1./s1
InChIKeyLKPRVWYHSGULQD-TXZNOMAVSA-N
XLogP-5.05
TPSA214.98 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500558.09
LogP ≤ 5-5.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze copper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1,4,7,10-tetrazacyclododec-1-yl)oxane-3,4,5-triol
CID 134246897
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865

Frequently Asked Questions

What is the IUPAC name of copper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol?
The IUPAC name of copper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol (CID 153490877) is copper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol.
What is the SMILES notation for copper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol?
The canonical SMILES for copper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol is OCC1O[C@@H](N2CC[N-]CCN([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)CC[N-]CC2)C(O)[C@@H](O)[C@@H]1O.[Cu].
What is the InChIKey of copper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol?
The InChIKey is LKPRVWYHSGULQD-TXZNOMAVSA-N. The full InChI is InChI=1S/C20H38N4O10.Cu/c25-9-11-13(27)15(29)17(31)19(33-11)23-5-1-21-2-6-24(8-4-22-3-7-23)20-18(32)16(30)14(28)12(10-26)34-20;/h11-20,25-32H,1-10H2;/q-2;/t11?,12?,13-,14-,15+,16+,17?,18?,19-,20-;/m1./s1.
What are the key properties of copper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol?
copper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol has a molecular weight of 558.09 g/mol, XLogP of -5.05, 4 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(3S,4S,6R)-2-(hydroxymethyl)-6-[7-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,7-diaza-4,10-diazanidacyclododec-1-yl]oxane-3,4,5-triol is sourced from PubChem (CID 153490877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).