actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide

C9H16AcNO4- — CID 59928041

IUPACactinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide
SMILESC=CCO[C@@H]1OC(CO)[C@H](O)CC1[NH-].[Ac]
InChIInChI=1S/C9H16NO4.Ac/c1-2-3-13-9-6(10)4-7(12)8(5-11)14-9;/h2,6-12H,1,3-5H2;/q-1;/t6?,7-,8?,9-;/m1./s1
InChIKeyHYHGGQLJRLHVBU-CFMJTGTKSA-N
MW429.23 g/mol
LogP0.08
Rot. Bonds4

About actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide

actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide (PubChem CID 59928041) has the molecular formula C9H16AcNO4- and a molecular weight of 429.23 g/mol. Its IUPAC name is actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide.

Molecular Properties

Compound Nameactinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide
PubChem CID59928041
Molecular FormulaC9H16AcNO4-
Molecular Weight429.23 g/mol
Exact Mass429.14
IUPAC Nameactinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide
SMILESC=CCO[C@@H]1OC(CO)[C@H](O)CC1[NH-].[Ac]
InChIInChI=1S/C9H16NO4.Ac/c1-2-3-13-9-6(10)4-7(12)8(5-11)14-9;/h2,6-12H,1,3-5H2;/q-1;/t6?,7-,8?,9-;/m1./s1
InChIKeyHYHGGQLJRLHVBU-CFMJTGTKSA-N
XLogP0.08
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.23
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol
CID 170851169
(2R,3R,4R)-2-(hydroxymethyl)-5-prop-2-enoxyoxolane-3,4-diol
CID 66709788
(2R,3S,4S,5R)-2-(hydroxymethyl)-5,6-bis(prop-2-enoxy)oxane-3,4-diol
CID 67610821
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 23250805
(2R,3R,4R,5S)-5-(hydroxymethyl)-2-methoxy-4-prop-2-enoxyoxolan-3-ol
CID 639388
actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59087720
[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol
CID 11010775
(2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol
CID 165180114
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67157179
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-prop-2-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101264112
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-prop-2-enoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101264111
2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol
CID 130147586

Frequently Asked Questions

What is the IUPAC name of actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide?
The IUPAC name of actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide (CID 59928041) is actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide.
What is the SMILES notation for actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide?
The canonical SMILES for actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide is C=CCO[C@@H]1OC(CO)[C@H](O)CC1[NH-].[Ac].
What is the InChIKey of actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide?
The InChIKey is HYHGGQLJRLHVBU-CFMJTGTKSA-N. The full InChI is InChI=1S/C9H16NO4.Ac/c1-2-3-13-9-6(10)4-7(12)8(5-11)14-9;/h2,6-12H,1,3-5H2;/q-1;/t6?,7-,8?,9-;/m1./s1.
What are the key properties of actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide?
actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide has a molecular weight of 429.23 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide is sourced from PubChem (CID 59928041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).