(6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol

C4H10O9P2 — CID 44582844

IUPAC(6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol
SMILESO=P1(O)OC[C@@H](O)[C@H](CO)OP(=O)(O)O1
InChIInChI=1S/C4H10O9P2/c5-1-4-3(6)2-11-14(7,8)13-15(9,10)12-4/h3-6H,1-2H2,(H,7,8)(H,9,10)/t3-,4+/m1/s1
InChIKeyYFHHHCXTKBYOFV-DMTCNVIQSA-N
MW264.06 g/mol
LogP-1.03
Rot. Bonds1

About (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol

(6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol (PubChem CID 44582844) has the molecular formula C4H10O9P2 and a molecular weight of 264.06 g/mol. Its IUPAC name is (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol.

Molecular Properties

Compound Name(6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol
PubChem CID44582844
Molecular FormulaC4H10O9P2
Molecular Weight264.06 g/mol
Exact Mass263.98
IUPAC Name(6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol
SMILESO=P1(O)OC[C@@H](O)[C@H](CO)OP(=O)(O)O1
InChIInChI=1S/C4H10O9P2/c5-1-4-3(6)2-11-14(7,8)13-15(9,10)12-4/h3-6H,1-2H2,(H,7,8)(H,9,10)/t3-,4+/m1/s1
InChIKeyYFHHHCXTKBYOFV-DMTCNVIQSA-N
XLogP-1.03
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide
CID 18459455
2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine
CID 152756492
(3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol
CID 10535473
(2R,3S,4R,5S,6R,13R,14S,15R,16R)-24-amino-6-(2-azidoethyl)-8,10-dihydroxy-8,10-dioxo-7,9,11,25-tetraoxa-17,19-diaza-1-azonia-8λ5,10λ5-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18,20,22-tetraene-3,4,14,15-tetrol
CID 24863776
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol
CID 14134374
2,4-dihydroxy-2-oxo-1,2λ5-oxaphospholane-3-carboxylic acid
CID 151519448
[(1R,5R,7R,8R)-3-hydroxy-8-methoxy-3-oxo-2,4,6-trioxa-3λ5-phosphabicyclo[3.2.1]octan-7-yl]methanol
CID 100950413
(1R,6S,7S,8R,9R,14R,16R,17R,22R,23R,24R,26S)-19,23-dihydroxy-16-(hydroxymethyl)-24,26-dimethoxy-6,9-dimethyl-19-oxo-15,18,20,25-tetraoxa-2,4,11,13-tetraza-19λ5-phosphahexacyclo[20.2.1.114,17.02,7.06,9.08,13]hexacosane-3,5,10,12-tetrone
CID 135495796
[(5S)-3-fluoro-2-hydroxy-2-oxo-1,2λ5-oxaphospholan-5-yl]methanol
CID 58881743
(2R,4R,5R,10R,11R,12R,13R,26R)-7,11,23-trihydroxy-4-(hydroxymethyl)-12,26-dimethoxy-7-oxo-3,6,8,25-tetraoxa-1,14,16,21-tetraza-7λ5-phosphapentacyclo[17.3.1.12,5.110,13.114,18]hexacos-18(24)-ene-15,17,20,22-tetrone
CID 71537146

Frequently Asked Questions

What is the IUPAC name of (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol?
The IUPAC name of (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol (CID 44582844) is (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol.
What is the SMILES notation for (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol?
The canonical SMILES for (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol is O=P1(O)OC[C@@H](O)[C@H](CO)OP(=O)(O)O1.
What is the InChIKey of (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol?
The InChIKey is YFHHHCXTKBYOFV-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H10O9P2/c5-1-4-3(6)2-11-14(7,8)13-15(9,10)12-4/h3-6H,1-2H2,(H,7,8)(H,9,10)/t3-,4+/m1/s1.
What are the key properties of (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol?
(6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol has a molecular weight of 264.06 g/mol, XLogP of -1.03, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol is sourced from PubChem (CID 44582844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).