actinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide

C27H44Ac2N2O21-2 — CID 20734066

IUPACactinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
SMILESCC(C)OC1C(C(=O)O)OC(OC2C([NH-])C(OC3C(C(=O)O)OC(OC4C([NH-])C(O)OC(CO)C4O)C(O)C3O)OC(CO)C2O)C(O)C1O.[Ac].[Ac]
InChIInChI=1S/C27H44N2O21.2Ac/c1-5(2)43-18-12(34)14(36)27(49-20(18)22(38)39)47-17-9(29)25(45-7(4-31)11(17)33)48-19-13(35)15(37)26(50-21(19)23(40)41)46-16-8(28)24(42)44-6(3-30)10(16)32;;/h5-21,24-37,42H,3-4H2,1-2H3,(H,38,39)(H,40,41);;/q-2;;
InChIKeyVBCQJKKNUPYSQT-UHFFFAOYSA-N
MW1186.64 g/mol
LogP-6.01
Rot. Bonds12

About actinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide

actinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide (PubChem CID 20734066) has the molecular formula C27H44Ac2N2O21-2 and a molecular weight of 1186.64 g/mol. Its IUPAC name is actinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide.

Molecular Properties

Compound Nameactinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
PubChem CID20734066
Molecular FormulaC27H44Ac2N2O21-2
Molecular Weight1186.64 g/mol
Exact Mass1186.30
IUPAC Nameactinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
SMILESCC(C)OC1C(C(=O)O)OC(OC2C([NH-])C(OC3C(C(=O)O)OC(OC4C([NH-])C(O)OC(CO)C4O)C(O)C3O)OC(CO)C2O)C(O)C1O.[Ac].[Ac]
InChIInChI=1S/C27H44N2O21.2Ac/c1-5(2)43-18-12(34)14(36)27(49-20(18)22(38)39)47-17-9(29)25(45-7(4-31)11(17)33)48-19-13(35)15(37)26(50-21(19)23(40)41)46-16-8(28)24(42)44-6(3-30)10(16)32;;/h5-21,24-37,42H,3-4H2,1-2H3,(H,38,39)(H,40,41);;/q-2;;
InChIKeyVBCQJKKNUPYSQT-UHFFFAOYSA-N
XLogP-6.01
TPSA378.11 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001186.64
LogP ≤ 5-6.01
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze actinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide with MolForge

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Related Compounds

(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
CID 91851077
4,5-dihydroxy-3-[5-hydroxy-6-(hydroxymethyl)-4-methoxy-3-(methylamino)oxan-2-yl]oxy-6-methoxyoxane-2-carboxylic acid
CID 90452431
(2S,3S,4R,5S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylic acid;4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylic acid
CID 158242237
(2S,3S,4S,5R,6S)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-2-carboxylic acid
CID 102281409
(2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-2-carboxylic acid
CID 91853943
(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
CID 91857981
(2S,3S,4S,5R,6R)-6-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 163021419
(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
CID 91862360
6-[3-acetamido-2-[6-[3-acetamido-2-[6-[3-acetamido-2-[6-[3-acetamido-2-[6-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 14389189
(2R,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6S)-3-acetamido-2-[(2R,3S,4R,5S,6R)-6-[(3S,4R,5S,6S)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 44630032
(2S,3S,4S,5R,6R)-6-[(2S,3R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 24759
(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 156614441

Frequently Asked Questions

What is the IUPAC name of actinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?
The IUPAC name of actinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide (CID 20734066) is actinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide.
What is the SMILES notation for actinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?
The canonical SMILES for actinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide is CC(C)OC1C(C(=O)O)OC(OC2C([NH-])C(OC3C(C(=O)O)OC(OC4C([NH-])C(O)OC(CO)C4O)C(O)C3O)OC(CO)C2O)C(O)C1O.[Ac].[Ac].
What is the InChIKey of actinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?
The InChIKey is VBCQJKKNUPYSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N2O21.2Ac/c1-5(2)43-18-12(34)14(36)27(49-20(18)22(38)39)47-17-9(29)25(45-7(4-31)11(17)33)48-19-13(35)15(37)26(50-21(19)23(40)41)46-16-8(28)24(42)44-6(3-30)10(16)32;;/h5-21,24-37,42H,3-4H2,1-2H3,(H,38,39)(H,40,41);;/q-2;;.
What are the key properties of actinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?
actinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide has a molecular weight of 1186.64 g/mol, XLogP of -6.01, 12 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[4-[5-[3-azanidyl-4-(6-carboxy-3,4-dihydroxy-5-propan-2-yloxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide is sourced from PubChem (CID 20734066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).