9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine

C10H18N5O4PS — CID 139390824

IUPAC9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine
SMILESNC1=NCNC2=C1NCN2[C@H]1CC[C@@H](COP(O)(O)=S)O1
InChIInChI=1S/C10H18N5O4PS/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(19-7)3-18-20(16,17)21/h6-7,13-14H,1-5H2,(H2,11,12)(H2,16,17,21)/t6-,7+/m0/s1
InChIKeyMOXRDXFQBLTVKC-NKWVEPMBSA-N
MW335.33 g/mol
LogP-1.33
Rot. Bonds4

About 9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine

9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine (PubChem CID 139390824) has the molecular formula C10H18N5O4PS and a molecular weight of 335.33 g/mol. Its IUPAC name is 9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine.

Molecular Properties

Compound Name9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine
PubChem CID139390824
Molecular FormulaC10H18N5O4PS
Molecular Weight335.33 g/mol
Exact Mass335.08
IUPAC Name9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine
SMILESNC1=NCNC2=C1NCN2[C@H]1CC[C@@H](COP(O)(O)=S)O1
InChIInChI=1S/C10H18N5O4PS/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(19-7)3-18-20(16,17)21/h6-7,13-14H,1-5H2,(H2,11,12)(H2,16,17,21)/t6-,7+/m0/s1
InChIKeyMOXRDXFQBLTVKC-NKWVEPMBSA-N
XLogP-1.33
TPSA124.60 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 5-1.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine?
The IUPAC name of 9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine (CID 139390824) is 9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine.
What is the SMILES notation for 9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine?
The canonical SMILES for 9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine is NC1=NCNC2=C1NCN2[C@H]1CC[C@@H](COP(O)(O)=S)O1.
What is the InChIKey of 9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine?
The InChIKey is MOXRDXFQBLTVKC-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H18N5O4PS/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(19-7)3-18-20(16,17)21/h6-7,13-14H,1-5H2,(H2,11,12)(H2,16,17,21)/t6-,7+/m0/s1.
What are the key properties of 9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine?
9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine has a molecular weight of 335.33 g/mol, XLogP of -1.33, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,3,7,8-tetrahydropurin-6-amine is sourced from PubChem (CID 139390824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).