(6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid

C11H14N5O6P — CID 142072687

IUPAC(6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid
SMILESNc1ncnc2c1ncn2[C@@H]1OC2COCO[C@@H]2C1O.O=PO
InChIInChI=1S/C11H13N5O4.HO2P/c12-9-6-10(14-2-13-9)16(3-15-6)11-7(17)8-5(20-11)1-18-4-19-8;1-3-2/h2-3,5,7-8,11,17H,1,4H2,(H2,12,13,14);(H,1,2)/t5?,7?,8-,11+;/m0./s1
InChIKeyHNBYGSNQVVDXCI-GLRRSKSISA-N
MW343.24 g/mol
LogP-0.77
Rot. Bonds1

About (6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid

(6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid (PubChem CID 142072687) has the molecular formula C11H14N5O6P and a molecular weight of 343.24 g/mol. Its IUPAC name is (6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid.

Molecular Properties

Compound Name(6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid
PubChem CID142072687
Molecular FormulaC11H14N5O6P
Molecular Weight343.24 g/mol
Exact Mass343.07
IUPAC Name(6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid
SMILESNc1ncnc2c1ncn2[C@@H]1OC2COCO[C@@H]2C1O.O=PO
InChIInChI=1S/C11H13N5O4.HO2P/c12-9-6-10(14-2-13-9)16(3-15-6)11-7(17)8-5(20-11)1-18-4-19-8;1-3-2/h2-3,5,7-8,11,17H,1,4H2,(H2,12,13,14);(H,1,2)/t5?,7?,8-,11+;/m0./s1
InChIKeyHNBYGSNQVVDXCI-GLRRSKSISA-N
XLogP-0.77
TPSA154.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid with MolForge

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Launch Full Analysis

Related Compounds

6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 142072673
(4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 135258372
(4aS,6R,7aR)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
CID 59909322
(1S,5R,6R,7R,9R,14S,15R,17S)-7,15-bis(6-aminopurin-9-yl)-6-fluoro-3-hydroxy-3-oxo-2,4,8,11,13-pentaoxa-3λ5-phosphatricyclo[12.2.1.05,9]heptadecan-17-ol
CID 139502982
(1S,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol
CID 102336501
calcium;(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;hydride;phosphane
CID 173089235
disodium;(1R,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dioxo-3,12-disulfido-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecane-9,18-diol
CID 164708338
(1S,6R,8R,9R,10S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3-oxo-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol
CID 163847690
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
(6aR,8S)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 59891160
(6aR,8R,9aR)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 2783865
(1R,6S,8S,9S,10R,15S,17S,18S)-17-(6-aminopurin-9-yl)-3-hydroxy-8-(6-methylpurin-9-yl)-12-oxo-12-sulfanyl-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1R,6S,8S,9S,10R,15S,17S,18S)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;methane
CID 162062578

Frequently Asked Questions

What is the IUPAC name of (6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid?
The IUPAC name of (6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid (CID 142072687) is (6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid.
What is the SMILES notation for (6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid?
The canonical SMILES for (6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid is Nc1ncnc2c1ncn2[C@@H]1OC2COCO[C@@H]2C1O.O=PO.
What is the InChIKey of (6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid?
The InChIKey is HNBYGSNQVVDXCI-GLRRSKSISA-N. The full InChI is InChI=1S/C11H13N5O4.HO2P/c12-9-6-10(14-2-13-9)16(3-15-6)11-7(17)8-5(20-11)1-18-4-19-8;1-3-2/h2-3,5,7-8,11,17H,1,4H2,(H2,12,13,14);(H,1,2)/t5?,7?,8-,11+;/m0./s1.
What are the key properties of (6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid?
(6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid has a molecular weight of 343.24 g/mol, XLogP of -0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7aR)-6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;phosphenous acid is sourced from PubChem (CID 142072687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).