[(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol

C14H17N3O5 — CID 58091476

IUPAC[(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
SMILESCC1O[C@@H]2[C@@H](CO)O[C@@H](c3coc4c(N)ncnc34)[C@]2(C)O1
InChIInChI=1S/C14H17N3O5/c1-6-20-12-8(3-18)21-11(14(12,2)22-6)7-4-19-10-9(7)16-5-17-13(10)15/h4-6,8,11-12,18H,3H2,1-2H3,(H2,15,16,17)/t6?,8-,11+,12-,14+/m1/s1
InChIKeySMQUOMHDTASMLV-CHERSDJKSA-N
MW307.31 g/mol
LogP0.76
Rot. Bonds2

About [(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol

[(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol (PubChem CID 58091476) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is [(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol.

Molecular Properties

Compound Name[(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
PubChem CID58091476
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name[(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
SMILESCC1O[C@@H]2[C@@H](CO)O[C@@H](c3coc4c(N)ncnc34)[C@]2(C)O1
InChIInChI=1S/C14H17N3O5/c1-6-20-12-8(3-18)21-11(14(12,2)22-6)7-4-19-10-9(7)16-5-17-13(10)15/h4-6,8,11-12,18H,3H2,1-2H3,(H2,15,16,17)/t6?,8-,11+,12-,14+/m1/s1
InChIKeySMQUOMHDTASMLV-CHERSDJKSA-N
XLogP0.76
TPSA112.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol with MolForge

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Related Compounds

(2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol
CID 143157481
[(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl cyclopropanecarboxylate
CID 25118986
2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14886755
(2R,3R,4R,5S)-5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 58676024
7-[(3aS,4S,6R,6aR)-6-(hydroxymethyl)-3a-methyl-2-thiophen-2-yl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-2-amino-3H-furo[3,2-d]pyrimidin-4-one
CID 135875934
(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol
CID 59859715
S-[2-[[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
CID 11679069
(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol
CID 71048291
O-[2-[[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-ethylphosphoryl]-2-[1-(dihydroxy-λ4-sulfanylidene)-2,2-dimethylpropoxy]ethyl] 2,2-dimethylpropanethioate
CID 173003296
[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium
CID 87085793
[(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol
CID 71017914
(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-6-(hydroxymethyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-2-one
CID 11515042

Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol?
The IUPAC name of [(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol (CID 58091476) is [(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol.
What is the SMILES notation for [(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol?
The canonical SMILES for [(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol is CC1O[C@@H]2[C@@H](CO)O[C@@H](c3coc4c(N)ncnc34)[C@]2(C)O1.
What is the InChIKey of [(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol?
The InChIKey is SMQUOMHDTASMLV-CHERSDJKSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-6-20-12-8(3-18)21-11(14(12,2)22-6)7-4-19-10-9(7)16-5-17-13(10)15/h4-6,8,11-12,18H,3H2,1-2H3,(H2,15,16,17)/t6?,8-,11+,12-,14+/m1/s1.
What are the key properties of [(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol?
[(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol has a molecular weight of 307.31 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol is sourced from PubChem (CID 58091476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).