actinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol

C32H58AcO7 — CID 59070828

IUPACactinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol
SMILESC=CCCCO[C@@H]1OC(CO[C@@H]2OC(CO[C@@H]3OC(CO)[C@H](C)[C@H](C)C3C)[C@H](C)[C@H](C)C2C)[C@H](C)[C@H](C)C1C.[Ac]
InChIInChI=1S/C32H58O7.Ac/c1-11-12-13-14-34-30-24(8)19(3)22(6)28(38-30)16-36-32-26(10)20(4)23(7)29(39-32)17-35-31-25(9)18(2)21(5)27(15-33)37-31;/h11,18-33H,1,12-17H2,2-10H3;/t18-,19-,20-,21+,22+,23+,24?,25?,26?,27?,28?,29?,30+,31+,32+;/m0./s1
InChIKeyRVHASPPBUMGYSI-SYDFUSPASA-N
MW781.81 g/mol
LogP5.89
Rot. Bonds12

About actinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol

actinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol (PubChem CID 59070828) has the molecular formula C32H58AcO7 and a molecular weight of 781.81 g/mol. Its IUPAC name is actinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol.

Molecular Properties

Compound Nameactinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol
PubChem CID59070828
Molecular FormulaC32H58AcO7
Molecular Weight781.81 g/mol
Exact Mass781.45
IUPAC Nameactinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol
SMILESC=CCCCO[C@@H]1OC(CO[C@@H]2OC(CO[C@@H]3OC(CO)[C@H](C)[C@H](C)C3C)[C@H](C)[C@H](C)C2C)[C@H](C)[C@H](C)C1C.[Ac]
InChIInChI=1S/C32H58O7.Ac/c1-11-12-13-14-34-30-24(8)19(3)22(6)28(38-30)16-36-32-26(10)20(4)23(7)29(39-32)17-35-31-25(9)18(2)21(5)27(15-33)37-31;/h11,18-33H,1,12-17H2,2-10H3;/t18-,19-,20-,21+,22+,23+,24?,25?,26?,27?,28?,29?,30+,31+,32+;/m0./s1
InChIKeyRVHASPPBUMGYSI-SYDFUSPASA-N
XLogP5.89
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.81
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze actinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol with MolForge

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Related Compounds

(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 56683097
[(3R,4S,6S)-6-[(3R,4R,6R)-2-(acetyloxymethyl)-6-[(3R,4R,6R)-2-(acetyloxymethyl)-4,5-dimethyl-6-pent-4-enoxyoxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl acetate
CID 58435516
(2R,4S,5S)-3,4,5-trimethyl-2-pent-4-enoxy-6-(phenylmethoxymethyl)oxane
CID 167536300
[6-[[4-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-6-dec-9-enoxy-3,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trimethyloxan-2-yl]methyl benzoate
CID 67888874
(2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol
CID 121217017
(2R,3R,4R,5R)-5-azido-2-(hydroxymethyl)-6-pent-4-enoxyoxane-3,4-diol
CID 134878515
[2-[[4-benzoyloxy-5-[(4-benzoyloxy-3-butoxy-5-pent-4-enoxyoxolan-2-yl)methoxy]-3-butoxyoxolan-2-yl]methoxy]-4-butoxy-5-(hydroxymethyl)oxolan-3-yl] benzoate
CID 89059364
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[[5-[2-[[5-[[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-4-phosphanyloxyoxolan-2-yl]oxymethyl]-3-methyl-4-phosphanyloxyoxolan-2-yl]oxymethyl]-4-methyl-5-pent-4-enoxyoxolan-3-yl]oxy-4-methyl-3-phosphanyloxyoxolan-2-yl]methoxy]-4-methyloxolan-3-yl]oxyphosphane
CID 59345744
(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
(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
(2S,3S,4R,5S)-5-methoxy-2-methyl-6-pent-4-enoxyoxane-3,4-diol
CID 10848008
methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate
CID 162021489

Frequently Asked Questions

What is the IUPAC name of actinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol?
The IUPAC name of actinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol (CID 59070828) is actinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol.
What is the SMILES notation for actinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol?
The canonical SMILES for actinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol is C=CCCCO[C@@H]1OC(CO[C@@H]2OC(CO[C@@H]3OC(CO)[C@H](C)[C@H](C)C3C)[C@H](C)[C@H](C)C2C)[C@H](C)[C@H](C)C1C.[Ac].
What is the InChIKey of actinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol?
The InChIKey is RVHASPPBUMGYSI-SYDFUSPASA-N. The full InChI is InChI=1S/C32H58O7.Ac/c1-11-12-13-14-34-30-24(8)19(3)22(6)28(38-30)16-36-32-26(10)20(4)23(7)29(39-32)17-35-31-25(9)18(2)21(5)27(15-33)37-31;/h11,18-33H,1,12-17H2,2-10H3;/t18-,19-,20-,21+,22+,23+,24?,25?,26?,27?,28?,29?,30+,31+,32+;/m0./s1.
What are the key properties of actinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol?
actinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol has a molecular weight of 781.81 g/mol, XLogP of 5.89, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-[[(3R,4S,6R)-3,4,5-trimethyl-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methanol is sourced from PubChem (CID 59070828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).