[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate

C10H23O12P — CID 91851104

IUPAC[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate
SMILESO=P(O)(OC[C@@H](O)[C@@H](O)[C@@H](O)CO)OC[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H23O12P/c11-1-5(13)9(17)7(15)3-21-23(19,20)22-4-8(16)10(18)6(14)2-12/h5-18H,1-4H2,(H,19,20)/t5-,6+,7+,8-,9-,10+
InChIKeyDNMIGQPMWSUBNJ-UXAOAXNSSA-N
MW366.26 g/mol
LogP-4.73
Rot. Bonds12

About [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate

[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate (PubChem CID 91851104) has the molecular formula C10H23O12P and a molecular weight of 366.26 g/mol. Its IUPAC name is [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate
PubChem CID91851104
Molecular FormulaC10H23O12P
Molecular Weight366.26 g/mol
Exact Mass366.09
IUPAC Name[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate
SMILESO=P(O)(OC[C@@H](O)[C@@H](O)[C@@H](O)CO)OC[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H23O12P/c11-1-5(13)9(17)7(15)3-21-23(19,20)22-4-8(16)10(18)6(14)2-12/h5-18H,1-4H2,(H,19,20)/t5-,6+,7+,8-,9-,10+
InChIKeyDNMIGQPMWSUBNJ-UXAOAXNSSA-N
XLogP-4.73
TPSA217.60 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500366.26
LogP ≤ 5-4.73
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

dicalcium;hydride;[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] dihydrogen phosphate
CID 173279543
barium(2+);[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl] phosphate
CID 117072657
[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl] [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] hydrogen phosphate
CID 87912577
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234
CID 175855975
CID 175855975
2,3,4,5,6-pentahydroxyhexanal;(2,3,4,5-tetrahydroxy-6-oxohexyl) dihydrogen phosphate
CID 170312997
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentoxy]phosphoryl]oxypropyl] hexadecanoate
CID 87504718
[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]methylphosphonic acid
CID 88598237
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4S)-2,3,4-trihydroxy-5-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-[hydroxy-[(2R,3S,4S)-2,3,4,5-tetrahydroxypentoxy]phosphoryl]oxyoxolan-2-yl]oxypentyl] hydrogen phosphate
CID 171389955
[(2R,3R,4R,5R)-2-amino-4,5,6-trihydroxy-1-oxohexan-3-yl] [(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] hydrogen phosphate
CID 18665423
[(2R)-3-[hydroxy-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentoxy]phosphoryl]oxy-2-[(Z)-tetracos-10-enoyl]oxypropyl] tetracos-10-enoate
CID 87063166

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate?
The IUPAC name of [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate (CID 91851104) is [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate.
What is the SMILES notation for [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate?
The canonical SMILES for [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate is O=P(O)(OC[C@@H](O)[C@@H](O)[C@@H](O)CO)OC[C@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate?
The InChIKey is DNMIGQPMWSUBNJ-UXAOAXNSSA-N. The full InChI is InChI=1S/C10H23O12P/c11-1-5(13)9(17)7(15)3-21-23(19,20)22-4-8(16)10(18)6(14)2-12/h5-18H,1-4H2,(H,19,20)/t5-,6+,7+,8-,9-,10+.
What are the key properties of [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate?
[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate has a molecular weight of 366.26 g/mol, XLogP of -4.73, 12 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate is sourced from PubChem (CID 91851104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).