(2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol

C13H25AsO7 — CID 101120490

IUPAC(2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol
SMILESCC1(C)O[C@H]2[C@H](OC[C@H](O)CO)O[C@H](C[As](C)(C)=O)[C@H]2O1
InChIInChI=1S/C13H25AsO7/c1-13(2)20-10-9(5-14(3,4)17)19-12(11(10)21-13)18-7-8(16)6-15/h8-12,15-16H,5-7H2,1-4H3/t8-,9-,10-,11-,12-/m1/s1
InChIKeyFLGYVAQTUCTYFX-LZQZFOIKSA-N
MW368.26 g/mol
LogP0.24
Rot. Bonds6

About (2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol

(2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol (PubChem CID 101120490) has the molecular formula C13H25AsO7 and a molecular weight of 368.26 g/mol. Its IUPAC name is (2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol
PubChem CID101120490
Molecular FormulaC13H25AsO7
Molecular Weight368.26 g/mol
Exact Mass368.08
IUPAC Name(2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol
SMILESCC1(C)O[C@H]2[C@H](OC[C@H](O)CO)O[C@H](C[As](C)(C)=O)[C@H]2O1
InChIInChI=1S/C13H25AsO7/c1-13(2)20-10-9(5-14(3,4)17)19-12(11(10)21-13)18-7-8(16)6-15/h8-12,15-16H,5-7H2,1-4H3/t8-,9-,10-,11-,12-/m1/s1
InChIKeyFLGYVAQTUCTYFX-LZQZFOIKSA-N
XLogP0.24
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol with MolForge

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Related Compounds

[(2R)-2,3-dihydroxypropyl] [(2S)-3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropyl] hydrogen phosphate
CID 163033312
[(2S)-2,3-dihydroxypropyl] [(2R)-3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropyl] phosphate
CID 101270923
[(3aR,6R,6aR)-4-ethoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 45094512
(2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol
CID 101030488
[(3aS,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 12696595
[(3aR,4R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 129137009
[(4R)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 123304821
[(4R,6R)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 59975529
CID 101475299
CID 101475299
(2S,3S)-1,4-bis[[(1R,2S,6S,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]oxy]butane-2,3-diol
CID 11192762
(3aR,6R,6aR)-2,2-dimethyl-4-prop-2-enoxy-6-(prop-2-enoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 11832466
(2S,3R,4S,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10083634

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol?
The IUPAC name of (2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol (CID 101120490) is (2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol?
The canonical SMILES for (2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol is CC1(C)O[C@H]2[C@H](OC[C@H](O)CO)O[C@H](C[As](C)(C)=O)[C@H]2O1.
What is the InChIKey of (2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol?
The InChIKey is FLGYVAQTUCTYFX-LZQZFOIKSA-N. The full InChI is InChI=1S/C13H25AsO7/c1-13(2)20-10-9(5-14(3,4)17)19-12(11(10)21-13)18-7-8(16)6-15/h8-12,15-16H,5-7H2,1-4H3/t8-,9-,10-,11-,12-/m1/s1.
What are the key properties of (2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol?
(2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol has a molecular weight of 368.26 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol is sourced from PubChem (CID 101120490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).