(4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol

C10H17N3O4 — CID 135033122

IUPAC(4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
SMILESCCC1(CC)OC2C(O1)[C@@H](CN=[N+]=[N-])O[C@H]2O
InChIInChI=1S/C10H17N3O4/c1-3-10(4-2)16-7-6(5-12-13-11)15-9(14)8(7)17-10/h6-9,14H,3-5H2,1-2H3/t6-,7?,8?,9-/m1/s1
InChIKeyDXPUCAONGHGZSQ-MDVIFZSFSA-N
MW243.26 g/mol
LogP1.31
Rot. Bonds4

About (4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol

(4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol (PubChem CID 135033122) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is (4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol.

Molecular Properties

Compound Name(4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
PubChem CID135033122
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
SMILESCCC1(CC)OC2C(O1)[C@@H](CN=[N+]=[N-])O[C@H]2O
InChIInChI=1S/C10H17N3O4/c1-3-10(4-2)16-7-6(5-12-13-11)15-9(14)8(7)17-10/h6-9,14H,3-5H2,1-2H3/t6-,7?,8?,9-/m1/s1
InChIKeyDXPUCAONGHGZSQ-MDVIFZSFSA-N
XLogP1.31
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-Azido-5-deoxy-D-arabinofuranose
CID 89698422
(3R,4R,5R)-5-(azidomethyl)oxolane-2,3,4-triol
CID 46874724
Methyl 5-azido-5-deoxy-2,3-O-(1-methylethylidene)pentofuranoside
CID 4686357
alpha-L-Sorbofuranose, 6-azido-6-deoxy-2,3-O-(1-methylethylidene)-
CID 29972359
(3aS,4R,6R,6aR)-4-(azidomethyl)-4-fluoro-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole
CID 177851891
(3aR,4R,6R,6aR)-6-(azidomethyl)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 10988037
(3aR,5R,6S,6aR)-5-(aminomethyl)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-ol
CID 10921304
(3aR,5R,6S,6aR)-5-(azidomethyl)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-ol
CID 11830837
(4R,5S)-4-(azidomethyl)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane
CID 21599332
(2R,3R,4S,5R)-5-(azidomethyl)oxolane-2,3,4-triol
CID 130850376
[(3aR,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
CID 392876
(3As,5S,6R,6aS)-5-(azidomethyl)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 12094028

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
The IUPAC name of (4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol (CID 135033122) is (4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol.
What is the SMILES notation for (4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
The canonical SMILES for (4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol is CCC1(CC)OC2C(O1)[C@@H](CN=[N+]=[N-])O[C@H]2O.
What is the InChIKey of (4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
The InChIKey is DXPUCAONGHGZSQ-MDVIFZSFSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-3-10(4-2)16-7-6(5-12-13-11)15-9(14)8(7)17-10/h6-9,14H,3-5H2,1-2H3/t6-,7?,8?,9-/m1/s1.
What are the key properties of (4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
(4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol has a molecular weight of 243.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol is sourced from PubChem (CID 135033122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).